(E)-3-(aminomethyl)-3-methylhept-5-en-2-ol

C9H19NO — CID 130514852

IUPAC(E)-3-(aminomethyl)-3-methylhept-5-en-2-ol
SMILESC/C=C/CC(C)(CN)C(C)O
InChIInChI=1S/C9H19NO/c1-4-5-6-9(3,7-10)8(2)11/h4-5,8,11H,6-7,10H2,1-3H3/b5-4+
InChIKeyCCKXDQQYFWUJLX-SNAWJCMRSA-N
MW157.26 g/mol
LogP1.30
Rot. Bonds4

About (E)-3-(aminomethyl)-3-methylhept-5-en-2-ol

(E)-3-(aminomethyl)-3-methylhept-5-en-2-ol (PubChem CID 130514852) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (E)-3-(aminomethyl)-3-methylhept-5-en-2-ol.

Molecular Properties

Compound Name(E)-3-(aminomethyl)-3-methylhept-5-en-2-ol
PubChem CID130514852
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(E)-3-(aminomethyl)-3-methylhept-5-en-2-ol
SMILESC/C=C/CC(C)(CN)C(C)O
InChIInChI=1S/C9H19NO/c1-4-5-6-9(3,7-10)8(2)11/h4-5,8,11H,6-7,10H2,1-3H3/b5-4+
InChIKeyCCKXDQQYFWUJLX-SNAWJCMRSA-N
XLogP1.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.30
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

3-(aminomethyl)-5-fluoro-3-methylpentan-2-ol
CID 126977387
(E,2R,3R)-1-amino-3-methylhept-5-en-2-ol
CID 163757336
1,3-diamino-2-(aminomethyl)-2-methylpropan-1-ol;hydrate
CID 139628665
2-methylhex-4-en-2-yl-di(propan-2-yl)phosphane
CID 158867140
3-(aminomethyl)-4-(4-bromophenyl)-3-methylbutan-2-ol
CID 65393001
(E)-2-methylhept-5-en-3-ol
CID 12592438
3-(aminomethyl)-3-methyl-5-propylsulfonylpentan-2-ol
CID 106734029
3-(aminomethyl)-3-methyl-4-(2-methylphenyl)butan-2-ol
CID 65392997
3-(aminomethyl)-4-(2,6-difluorophenyl)-3-methylbutan-2-ol
CID 114934759
(Z)-1-aminohex-4-en-2-ol
CID 155394876
3,3-bis(but-2-enyl)pentane-2,4-dione
CID 539027
3,3-dimethylhex-4-en-2-ol
CID 85445269

Frequently Asked Questions

What is the IUPAC name of (E)-3-(aminomethyl)-3-methylhept-5-en-2-ol?
The IUPAC name of (E)-3-(aminomethyl)-3-methylhept-5-en-2-ol (CID 130514852) is (E)-3-(aminomethyl)-3-methylhept-5-en-2-ol.
What is the SMILES notation for (E)-3-(aminomethyl)-3-methylhept-5-en-2-ol?
The canonical SMILES for (E)-3-(aminomethyl)-3-methylhept-5-en-2-ol is C/C=C/CC(C)(CN)C(C)O.
What is the InChIKey of (E)-3-(aminomethyl)-3-methylhept-5-en-2-ol?
The InChIKey is CCKXDQQYFWUJLX-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-5-6-9(3,7-10)8(2)11/h4-5,8,11H,6-7,10H2,1-3H3/b5-4+.
What are the key properties of (E)-3-(aminomethyl)-3-methylhept-5-en-2-ol?
(E)-3-(aminomethyl)-3-methylhept-5-en-2-ol has a molecular weight of 157.26 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(aminomethyl)-3-methylhept-5-en-2-ol is sourced from PubChem (CID 130514852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).