2-[[(2E)-2,7-dimethylocta-2,7-dienyl]amino]ethanol

C12H23NO — CID 132936784

IUPAC2-[[(2E)-2,7-dimethylocta-2,7-dienyl]amino]ethanol
SMILESC=C(C)CCC/C=C(\C)CNCCO
InChIInChI=1S/C12H23NO/c1-11(2)6-4-5-7-12(3)10-13-8-9-14/h7,13-14H,1,4-6,8-10H2,2-3H3/b12-7+
InChIKeyCJJNYBHCWWQUQB-KPKJPENVSA-N
MW197.32 g/mol
LogP2.26
Rot. Bonds8

About 2-[[(2E)-2,7-dimethylocta-2,7-dienyl]amino]ethanol

2-[[(2E)-2,7-dimethylocta-2,7-dienyl]amino]ethanol (PubChem CID 132936784) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-[[(2E)-2,7-dimethylocta-2,7-dienyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(2E)-2,7-dimethylocta-2,7-dienyl]amino]ethanol
PubChem CID132936784
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-[[(2E)-2,7-dimethylocta-2,7-dienyl]amino]ethanol
SMILESC=C(C)CCC/C=C(\C)CNCCO
InChIInChI=1S/C12H23NO/c1-11(2)6-4-5-7-12(3)10-13-8-9-14/h7,13-14H,1,4-6,8-10H2,2-3H3/b12-7+
InChIKeyCJJNYBHCWWQUQB-KPKJPENVSA-N
XLogP2.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylprop-2-enylamino)ethanol
CID 19100967
2,7-dimethylocta-2,7-dien-1-amine
CID 550648
(6E)-2,7-dimethyldeca-1,6-diene
CID 173073155
(4E)-5,9-dimethyldeca-4,9-dienal
CID 6437671
2,8-dimethyldodeca-1,8-diene
CID 91581739
5-methylhex-5-en-1-ol
CID 10820498
2,6-dimethylocta-1,5-diene
CID 54025904
(7E)-2-methylnona-1,7-diene
CID 23197153
(E)-3-methyldec-3-en-1-ol
CID 6428571
3-methyldec-3-en-1-ol
CID 78409313
N-tert-butyl-4,7-dimethylocta-3,7-dien-1-amine
CID 104929644
N-(2-methylprop-2-enyl)hept-6-en-1-amine
CID 107007189

Frequently Asked Questions

What is the IUPAC name of 2-[[(2E)-2,7-dimethylocta-2,7-dienyl]amino]ethanol?
The IUPAC name of 2-[[(2E)-2,7-dimethylocta-2,7-dienyl]amino]ethanol (CID 132936784) is 2-[[(2E)-2,7-dimethylocta-2,7-dienyl]amino]ethanol.
What is the SMILES notation for 2-[[(2E)-2,7-dimethylocta-2,7-dienyl]amino]ethanol?
The canonical SMILES for 2-[[(2E)-2,7-dimethylocta-2,7-dienyl]amino]ethanol is C=C(C)CCC/C=C(\C)CNCCO.
What is the InChIKey of 2-[[(2E)-2,7-dimethylocta-2,7-dienyl]amino]ethanol?
The InChIKey is CJJNYBHCWWQUQB-KPKJPENVSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2)6-4-5-7-12(3)10-13-8-9-14/h7,13-14H,1,4-6,8-10H2,2-3H3/b12-7+.
What are the key properties of 2-[[(2E)-2,7-dimethylocta-2,7-dienyl]amino]ethanol?
2-[[(2E)-2,7-dimethylocta-2,7-dienyl]amino]ethanol has a molecular weight of 197.32 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2E)-2,7-dimethylocta-2,7-dienyl]amino]ethanol is sourced from PubChem (CID 132936784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).