(E,2R,3R)-1-amino-3-methylhept-5-en-2-ol

C8H17NO — CID 163757336

IUPAC(E,2R,3R)-1-amino-3-methylhept-5-en-2-ol
SMILESC/C=C/C[C@@H](C)[C@@H](O)CN
InChIInChI=1S/C8H17NO/c1-3-4-5-7(2)8(10)6-9/h3-4,7-8,10H,5-6,9H2,1-2H3/b4-3+/t7-,8+/m1/s1
InChIKeyLVFBNGGKXGZIHF-ZGNIKFQOSA-N
MW143.23 g/mol
LogP0.91
Rot. Bonds4

About (E,2R,3R)-1-amino-3-methylhept-5-en-2-ol

(E,2R,3R)-1-amino-3-methylhept-5-en-2-ol (PubChem CID 163757336) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (E,2R,3R)-1-amino-3-methylhept-5-en-2-ol.

Molecular Properties

Compound Name(E,2R,3R)-1-amino-3-methylhept-5-en-2-ol
PubChem CID163757336
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(E,2R,3R)-1-amino-3-methylhept-5-en-2-ol
SMILESC/C=C/C[C@@H](C)[C@@H](O)CN
InChIInChI=1S/C8H17NO/c1-3-4-5-7(2)8(10)6-9/h3-4,7-8,10H,5-6,9H2,1-2H3/b4-3+/t7-,8+/m1/s1
InChIKeyLVFBNGGKXGZIHF-ZGNIKFQOSA-N
XLogP0.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-aminohex-4-en-2-ol
CID 155394876
(E,5S,6R)-6-methyldec-8-en-5-ol
CID 88893107
(E)-3-hydroxy-4-methyloct-6-enoic acid
CID 87602853
(E)-2-methylhept-5-en-3-ol
CID 12592438
1-chloropent-3-en-1-ol
CID 154207104
(E,4R,5R)-3-ethyl-5-methylnon-7-en-4-ol
CID 89149802
(E,3S,4R)-3,4-dimethyloct-6-enamide
CID 89087152
(E,2S,3R,4R)-2-amino-3-hydroxy-4-methyloct-6-enoic acid
CID 5282047
aminomethyl-dihydroxy-methylphosphanium
CID 6395030
(E)-3-aminooct-6-en-4-ol
CID 20676249
(3S,5R)-3-(aminomethyl)-5-methylnon-7-enoic acid
CID 57074831
(E)-2-[(E)-but-2-enyl]-3-methylhept-5-enoic acid
CID 20820807

Frequently Asked Questions

What is the IUPAC name of (E,2R,3R)-1-amino-3-methylhept-5-en-2-ol?
The IUPAC name of (E,2R,3R)-1-amino-3-methylhept-5-en-2-ol (CID 163757336) is (E,2R,3R)-1-amino-3-methylhept-5-en-2-ol.
What is the SMILES notation for (E,2R,3R)-1-amino-3-methylhept-5-en-2-ol?
The canonical SMILES for (E,2R,3R)-1-amino-3-methylhept-5-en-2-ol is C/C=C/C[C@@H](C)[C@@H](O)CN.
What is the InChIKey of (E,2R,3R)-1-amino-3-methylhept-5-en-2-ol?
The InChIKey is LVFBNGGKXGZIHF-ZGNIKFQOSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-4-5-7(2)8(10)6-9/h3-4,7-8,10H,5-6,9H2,1-2H3/b4-3+/t7-,8+/m1/s1.
What are the key properties of (E,2R,3R)-1-amino-3-methylhept-5-en-2-ol?
(E,2R,3R)-1-amino-3-methylhept-5-en-2-ol has a molecular weight of 143.23 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3R)-1-amino-3-methylhept-5-en-2-ol is sourced from PubChem (CID 163757336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).