(4R,6S)-2-methyl-6-(propan-2-ylamino)heptan-4-ol

C11H25NO — CID 101198862

IUPAC(4R,6S)-2-methyl-6-(propan-2-ylamino)heptan-4-ol
SMILESCC(C)C[C@@H](O)C[C@H](C)NC(C)C
InChIInChI=1S/C11H25NO/c1-8(2)6-11(13)7-10(5)12-9(3)4/h8-13H,6-7H2,1-5H3/t10-,11+/m0/s1
InChIKeyIEQBYAWZDCSHDE-WDEREUQCSA-N
MW187.33 g/mol
LogP2.17
Rot. Bonds6

About (4R,6S)-2-methyl-6-(propan-2-ylamino)heptan-4-ol

(4R,6S)-2-methyl-6-(propan-2-ylamino)heptan-4-ol (PubChem CID 101198862) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is (4R,6S)-2-methyl-6-(propan-2-ylamino)heptan-4-ol.

Molecular Properties

Compound Name(4R,6S)-2-methyl-6-(propan-2-ylamino)heptan-4-ol
PubChem CID101198862
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name(4R,6S)-2-methyl-6-(propan-2-ylamino)heptan-4-ol
SMILESCC(C)C[C@@H](O)C[C@H](C)NC(C)C
InChIInChI=1S/C11H25NO/c1-8(2)6-11(13)7-10(5)12-9(3)4/h8-13H,6-7H2,1-5H3/t10-,11+/m0/s1
InChIKeyIEQBYAWZDCSHDE-WDEREUQCSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,6R)-2,8-dimethylnonane-4,6-diol
CID 15640449
(3R,5R)-2,7-dimethyloctane-3,5-diol
CID 14895751
(2R)-2-[[(2R)-4-methylpentan-2-yl]amino]propan-1-ol
CID 93082853
(4R,6R)-2,6-dimethyloct-7-en-4-ol
CID 92953759
2,6-dimethylheptan-4-ol;methane;2-methyl-1-(2-methylpropoxy)propane
CID 158712892
(2S)-1-chloro-4-methylpentan-2-ol
CID 641049
(2S)-4-methylpentane-1,2-diol;sulfane
CID 159079830
N-[(1S)-1-cyclopentylethyl]-4-methylpentan-2-amine
CID 81386383
methyl 2-methyl-4-(propan-2-ylamino)pentanoate
CID 104646065
N-(1-cyclopentylethyl)-4-methylpentan-2-amine
CID 62632621
1-N-(2-methylpropyl)-2-N-propan-2-ylpropane-1,2-diamine
CID 62569750
(2S)-1-(tert-butylamino)-4-methylpentan-2-ol
CID 2056246

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-2-methyl-6-(propan-2-ylamino)heptan-4-ol?
The IUPAC name of (4R,6S)-2-methyl-6-(propan-2-ylamino)heptan-4-ol (CID 101198862) is (4R,6S)-2-methyl-6-(propan-2-ylamino)heptan-4-ol.
What is the SMILES notation for (4R,6S)-2-methyl-6-(propan-2-ylamino)heptan-4-ol?
The canonical SMILES for (4R,6S)-2-methyl-6-(propan-2-ylamino)heptan-4-ol is CC(C)C[C@@H](O)C[C@H](C)NC(C)C.
What is the InChIKey of (4R,6S)-2-methyl-6-(propan-2-ylamino)heptan-4-ol?
The InChIKey is IEQBYAWZDCSHDE-WDEREUQCSA-N. The full InChI is InChI=1S/C11H25NO/c1-8(2)6-11(13)7-10(5)12-9(3)4/h8-13H,6-7H2,1-5H3/t10-,11+/m0/s1.
What are the key properties of (4R,6S)-2-methyl-6-(propan-2-ylamino)heptan-4-ol?
(4R,6S)-2-methyl-6-(propan-2-ylamino)heptan-4-ol has a molecular weight of 187.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-2-methyl-6-(propan-2-ylamino)heptan-4-ol is sourced from PubChem (CID 101198862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).