(3S)-1-amino-5-methylhexan-3-ol;1-amino-4-methylpentan-2-ol;(2R)-1-amino-4-methylpentan-2-ol;(2S)-1-amino-4-methylpentan-2-ol;methane;2-methylheptan-4-ol;(4S)-2-methylheptan-4-ol

C42H102N4O6 — CID 159375210

IUPAC(3S)-1-amino-5-methylhexan-3-ol;1-amino-4-methylpentan-2-ol;(2R)-1-amino-4-methylpentan-2-ol;(2S)-1-amino-4-methylpentan-2-ol;methane;2-methylheptan-4-ol;(4S)-2-methylheptan-4-ol
SMILESC.CC(C)CC(O)CN.CC(C)C[C@@H](O)CN.CC(C)C[C@H](O)CCN.CC(C)C[C@H](O)CN.CCCC(O)CC(C)C.CCC[C@H](O)CC(C)C
InChIInChI=1S/2C8H18O.C7H17NO.3C6H15NO.CH4/c2*1-4-5-8(9)6-7(2)3;1-6(2)5-7(9)3-4-8;3*1-5(2)3-6(8)4-7;/h2*7-9H,4-6H2,1-3H3;6-7,9H,3-5,8H2,1-2H3;3*5-6,8H,3-4,7H2,1-2H3;1H4/t8-;;7-;2*6-;;/m0.110../s1
InChIKeyLKFNUPLUAFAVLL-JTIVWERLSA-N
MW759.30 g/mol
LogP6.82
Rot. Bonds21

About (3S)-1-amino-5-methylhexan-3-ol;1-amino-4-methylpentan-2-ol;(2R)-1-amino-4-methylpentan-2-ol;(2S)-1-amino-4-methylpentan-2-ol;methane;2-methylheptan-4-ol;(4S)-2-methylheptan-4-ol

(3S)-1-amino-5-methylhexan-3-ol;1-amino-4-methylpentan-2-ol;(2R)-1-amino-4-methylpentan-2-ol;(2S)-1-amino-4-methylpentan-2-ol;methane;2-methylheptan-4-ol;(4S)-2-methylheptan-4-ol (PubChem CID 159375210) has the molecular formula C42H102N4O6 and a molecular weight of 759.30 g/mol. Its IUPAC name is (3S)-1-amino-5-methylhexan-3-ol;1-amino-4-methylpentan-2-ol;(2R)-1-amino-4-methylpentan-2-ol;(2S)-1-amino-4-methylpentan-2-ol;methane;2-methylheptan-4-ol;(4S)-2-methylheptan-4-ol.

Molecular Properties

Compound Name(3S)-1-amino-5-methylhexan-3-ol;1-amino-4-methylpentan-2-ol;(2R)-1-amino-4-methylpentan-2-ol;(2S)-1-amino-4-methylpentan-2-ol;methane;2-methylheptan-4-ol;(4S)-2-methylheptan-4-ol
PubChem CID159375210
Molecular FormulaC42H102N4O6
Molecular Weight759.30 g/mol
Exact Mass758.78
IUPAC Name(3S)-1-amino-5-methylhexan-3-ol;1-amino-4-methylpentan-2-ol;(2R)-1-amino-4-methylpentan-2-ol;(2S)-1-amino-4-methylpentan-2-ol;methane;2-methylheptan-4-ol;(4S)-2-methylheptan-4-ol
SMILESC.CC(C)CC(O)CN.CC(C)C[C@@H](O)CN.CC(C)C[C@H](O)CCN.CC(C)C[C@H](O)CN.CCCC(O)CC(C)C.CCC[C@H](O)CC(C)C
InChIInChI=1S/2C8H18O.C7H17NO.3C6H15NO.CH4/c2*1-4-5-8(9)6-7(2)3;1-6(2)5-7(9)3-4-8;3*1-5(2)3-6(8)4-7;/h2*7-9H,4-6H2,1-3H3;6-7,9H,3-5,8H2,1-2H3;3*5-6,8H,3-4,7H2,1-2H3;1H4/t8-;;7-;2*6-;;/m0.110../s1
InChIKeyLKFNUPLUAFAVLL-JTIVWERLSA-N
XLogP6.82
TPSA225.46 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500759.30
LogP ≤ 56.82
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Analyze (3S)-1-amino-5-methylhexan-3-ol;1-amino-4-methylpentan-2-ol;(2R)-1-amino-4-methylpentan-2-ol;(2S)-1-amino-4-methylpentan-2-ol;methane;2-methylheptan-4-ol;(4S)-2-methylheptan-4-ol with MolForge

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Launch Full Analysis

Related Compounds

heptane-2,4-diol
CID 161420509
1-amino-5-methylhexan-3-ol;2,2,2-trifluoroacetic acid
CID 139349054
nonane-2,4,6-triol
CID 87069137
1-amino-4,6-dimethylheptan-2-ol
CID 146604976
(4S)-2-methylnonan-4-ol
CID 86308805
2-iodoheptan-4-ol
CID 18920941
1-amino-4-butyloctan-2-ol
CID 57288695
8-(2-aminoethylamino)-2-methyloctan-4-ol
CID 123612148
8-aminooctan-4-ol
CID 146035755
1,7-diamino-6-methylheptan-3-ol
CID 88669461
1-aminooctan-3-ol
CID 21436343
(3R)-1-aminooctan-3-ol
CID 22797502

Frequently Asked Questions

What is the IUPAC name of (3S)-1-amino-5-methylhexan-3-ol;1-amino-4-methylpentan-2-ol;(2R)-1-amino-4-methylpentan-2-ol;(2S)-1-amino-4-methylpentan-2-ol;methane;2-methylheptan-4-ol;(4S)-2-methylheptan-4-ol?
The IUPAC name of (3S)-1-amino-5-methylhexan-3-ol;1-amino-4-methylpentan-2-ol;(2R)-1-amino-4-methylpentan-2-ol;(2S)-1-amino-4-methylpentan-2-ol;methane;2-methylheptan-4-ol;(4S)-2-methylheptan-4-ol (CID 159375210) is (3S)-1-amino-5-methylhexan-3-ol;1-amino-4-methylpentan-2-ol;(2R)-1-amino-4-methylpentan-2-ol;(2S)-1-amino-4-methylpentan-2-ol;methane;2-methylheptan-4-ol;(4S)-2-methylheptan-4-ol.
What is the SMILES notation for (3S)-1-amino-5-methylhexan-3-ol;1-amino-4-methylpentan-2-ol;(2R)-1-amino-4-methylpentan-2-ol;(2S)-1-amino-4-methylpentan-2-ol;methane;2-methylheptan-4-ol;(4S)-2-methylheptan-4-ol?
The canonical SMILES for (3S)-1-amino-5-methylhexan-3-ol;1-amino-4-methylpentan-2-ol;(2R)-1-amino-4-methylpentan-2-ol;(2S)-1-amino-4-methylpentan-2-ol;methane;2-methylheptan-4-ol;(4S)-2-methylheptan-4-ol is C.CC(C)CC(O)CN.CC(C)C[C@@H](O)CN.CC(C)C[C@H](O)CCN.CC(C)C[C@H](O)CN.CCCC(O)CC(C)C.CCC[C@H](O)CC(C)C.
What is the InChIKey of (3S)-1-amino-5-methylhexan-3-ol;1-amino-4-methylpentan-2-ol;(2R)-1-amino-4-methylpentan-2-ol;(2S)-1-amino-4-methylpentan-2-ol;methane;2-methylheptan-4-ol;(4S)-2-methylheptan-4-ol?
The InChIKey is LKFNUPLUAFAVLL-JTIVWERLSA-N. The full InChI is InChI=1S/2C8H18O.C7H17NO.3C6H15NO.CH4/c2*1-4-5-8(9)6-7(2)3;1-6(2)5-7(9)3-4-8;3*1-5(2)3-6(8)4-7;/h2*7-9H,4-6H2,1-3H3;6-7,9H,3-5,8H2,1-2H3;3*5-6,8H,3-4,7H2,1-2H3;1H4/t8-;;7-;2*6-;;/m0.110../s1.
What are the key properties of (3S)-1-amino-5-methylhexan-3-ol;1-amino-4-methylpentan-2-ol;(2R)-1-amino-4-methylpentan-2-ol;(2S)-1-amino-4-methylpentan-2-ol;methane;2-methylheptan-4-ol;(4S)-2-methylheptan-4-ol?
(3S)-1-amino-5-methylhexan-3-ol;1-amino-4-methylpentan-2-ol;(2R)-1-amino-4-methylpentan-2-ol;(2S)-1-amino-4-methylpentan-2-ol;methane;2-methylheptan-4-ol;(4S)-2-methylheptan-4-ol has a molecular weight of 759.30 g/mol, XLogP of 6.82, 21 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-amino-5-methylhexan-3-ol;1-amino-4-methylpentan-2-ol;(2R)-1-amino-4-methylpentan-2-ol;(2S)-1-amino-4-methylpentan-2-ol;methane;2-methylheptan-4-ol;(4S)-2-methylheptan-4-ol is sourced from PubChem (CID 159375210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).