[[(E)-5,5-dimethylhex-2-enyl]amino]methanol

C9H19NO — CID 142399894

IUPAC[[(E)-5,5-dimethylhex-2-enyl]amino]methanol
SMILESCC(C)(C)C/C=C/CNCO
InChIInChI=1S/C9H19NO/c1-9(2,3)6-4-5-7-10-8-11/h4-5,10-11H,6-8H2,1-3H3/b5-4+
InChIKeyAZYWROXOIGUVQY-SNAWJCMRSA-N
MW157.26 g/mol
LogP1.52
Rot. Bonds4

About [[(E)-5,5-dimethylhex-2-enyl]amino]methanol

[[(E)-5,5-dimethylhex-2-enyl]amino]methanol (PubChem CID 142399894) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is [[(E)-5,5-dimethylhex-2-enyl]amino]methanol.

Molecular Properties

Compound Name[[(E)-5,5-dimethylhex-2-enyl]amino]methanol
PubChem CID142399894
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name[[(E)-5,5-dimethylhex-2-enyl]amino]methanol
SMILESCC(C)(C)C/C=C/CNCO
InChIInChI=1S/C9H19NO/c1-9(2,3)6-4-5-7-10-8-11/h4-5,10-11H,6-8H2,1-3H3/b5-4+
InChIKeyAZYWROXOIGUVQY-SNAWJCMRSA-N
XLogP1.52
TPSA32.26 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 ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[[(5E)-6-methylocta-1,5-dien-3-yl]amino]methanol
CID 89153849
(Z)-N,5,5-trimethylhex-2-en-1-amine
CID 117265844
[[(Z)-2-methyl-2-prop-2-enylpent-3-enyl]amino]methanol
CID 139468413
[(3-Ethyl-3-methylhex-4-enyl)amino]methanol
CID 167210620
(Pent-2-enylamino)methanol
CID 173057747
[[(E,2S)-8,8-dimethylnon-3-en-2-yl]amino]methanol
CID 142399327
(E)-N,5,5-trimethylhex-2-en-1-amine
CID 142399872

Frequently Asked Questions

What is the IUPAC name of [[(E)-5,5-dimethylhex-2-enyl]amino]methanol?
The IUPAC name of [[(E)-5,5-dimethylhex-2-enyl]amino]methanol (CID 142399894) is [[(E)-5,5-dimethylhex-2-enyl]amino]methanol.
What is the SMILES notation for [[(E)-5,5-dimethylhex-2-enyl]amino]methanol?
The canonical SMILES for [[(E)-5,5-dimethylhex-2-enyl]amino]methanol is CC(C)(C)C/C=C/CNCO.
What is the InChIKey of [[(E)-5,5-dimethylhex-2-enyl]amino]methanol?
The InChIKey is AZYWROXOIGUVQY-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(2,3)6-4-5-7-10-8-11/h4-5,10-11H,6-8H2,1-3H3/b5-4+.
What are the key properties of [[(E)-5,5-dimethylhex-2-enyl]amino]methanol?
[[(E)-5,5-dimethylhex-2-enyl]amino]methanol has a molecular weight of 157.26 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(E)-5,5-dimethylhex-2-enyl]amino]methanol is sourced from PubChem (CID 142399894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).