1-amino-2,6-dimethylhept-4-en-1-ol

C9H19NO — CID 91061847

IUPAC1-amino-2,6-dimethylhept-4-en-1-ol
SMILESCC(C)C=CCC(C)C(N)O
InChIInChI=1S/C9H19NO/c1-7(2)5-4-6-8(3)9(10)11/h4-5,7-9,11H,6,10H2,1-3H3
InChIKeySMGUSBGZMHOZNQ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.50
Rot. Bonds4

About 1-amino-2,6-dimethylhept-4-en-1-ol

1-amino-2,6-dimethylhept-4-en-1-ol (PubChem CID 91061847) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-amino-2,6-dimethylhept-4-en-1-ol.

Molecular Properties

Compound Name1-amino-2,6-dimethylhept-4-en-1-ol
PubChem CID91061847
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-amino-2,6-dimethylhept-4-en-1-ol
SMILESCC(C)C=CCC(C)C(N)O
InChIInChI=1S/C9H19NO/c1-7(2)5-4-6-8(3)9(10)11/h4-5,7-9,11H,6,10H2,1-3H3
InChIKeySMGUSBGZMHOZNQ-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Amino-2-methylpent-4-en-1-ol
CID 57180788
1-Aminooct-4-ene-1,8-diol
CID 57208307
(E)-8-aminooct-4-en-1-ol
CID 57958042
1-Amino-2-(2-aminoethyl)-4-methylpent-3-en-1-ol
CID 87157834
1-Amino-2-prop-2-enylpent-4-en-1-ol
CID 87199237
1-Amino-2,3-dimethylpent-3-en-1-ol
CID 90725287
1-Amino-2-propan-2-ylbut-3-en-1-ol
CID 91085815
2-Amino-3-pent-1-enyloct-4-en-1-ol
CID 91225527
10-Amino-4-methyldec-6-en-3-ol
CID 91598548
(5E)-1-amino-6,10-dimethylundeca-5,9-dien-1-ol
CID 117940818
(4E)-1-amino-5,9-dimethyldeca-4,8-dien-1-ol
CID 117940937
(E,2R,3R)-2-amino-3-methylhex-4-en-1-ol
CID 121405565

Frequently Asked Questions

What is the IUPAC name of 1-amino-2,6-dimethylhept-4-en-1-ol?
The IUPAC name of 1-amino-2,6-dimethylhept-4-en-1-ol (CID 91061847) is 1-amino-2,6-dimethylhept-4-en-1-ol.
What is the SMILES notation for 1-amino-2,6-dimethylhept-4-en-1-ol?
The canonical SMILES for 1-amino-2,6-dimethylhept-4-en-1-ol is CC(C)C=CCC(C)C(N)O.
What is the InChIKey of 1-amino-2,6-dimethylhept-4-en-1-ol?
The InChIKey is SMGUSBGZMHOZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)5-4-6-8(3)9(10)11/h4-5,7-9,11H,6,10H2,1-3H3.
What are the key properties of 1-amino-2,6-dimethylhept-4-en-1-ol?
1-amino-2,6-dimethylhept-4-en-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,6-dimethylhept-4-en-1-ol is sourced from PubChem (CID 91061847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).