(4-methylhepta-1,6-dien-4-ylamino)methanol

C9H17NO — CID 139767706

IUPAC(4-methylhepta-1,6-dien-4-ylamino)methanol
SMILESC=CCC(C)(CC=C)NCO
InChIInChI=1S/C9H17NO/c1-4-6-9(3,7-5-2)10-8-11/h4-5,10-11H,1-2,6-8H2,3H3
InChIKeyANQCUKSGSXUMNA-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.44
Rot. Bonds6

About (4-methylhepta-1,6-dien-4-ylamino)methanol

(4-methylhepta-1,6-dien-4-ylamino)methanol (PubChem CID 139767706) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (4-methylhepta-1,6-dien-4-ylamino)methanol.

Molecular Properties

Compound Name(4-methylhepta-1,6-dien-4-ylamino)methanol
PubChem CID139767706
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(4-methylhepta-1,6-dien-4-ylamino)methanol
SMILESC=CCC(C)(CC=C)NCO
InChIInChI=1S/C9H17NO/c1-4-6-9(3,7-5-2)10-8-11/h4-5,10-11H,1-2,6-8H2,3H3
InChIKeyANQCUKSGSXUMNA-UHFFFAOYSA-N
XLogP1.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.44
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

2-(4-Methylhepta-1,6-dien-4-ylamino)ethanol
CID 87438838
1-(4-Methylhepta-1,6-dien-4-ylamino)ethanol
CID 87438839
2-(Methylamino)-2-prop-2-enylpent-4-en-1-ol
CID 88101753
[[(1R)-2-ethenyl-1-methylcyclopropyl]amino]methanol
CID 163587559
[[(E)-2,8,8-trimethyldec-5-en-2-yl]amino]methanol
CID 142399777

Frequently Asked Questions

What is the IUPAC name of (4-methylhepta-1,6-dien-4-ylamino)methanol?
The IUPAC name of (4-methylhepta-1,6-dien-4-ylamino)methanol (CID 139767706) is (4-methylhepta-1,6-dien-4-ylamino)methanol.
What is the SMILES notation for (4-methylhepta-1,6-dien-4-ylamino)methanol?
The canonical SMILES for (4-methylhepta-1,6-dien-4-ylamino)methanol is C=CCC(C)(CC=C)NCO.
What is the InChIKey of (4-methylhepta-1,6-dien-4-ylamino)methanol?
The InChIKey is ANQCUKSGSXUMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-6-9(3,7-5-2)10-8-11/h4-5,10-11H,1-2,6-8H2,3H3.
What are the key properties of (4-methylhepta-1,6-dien-4-ylamino)methanol?
(4-methylhepta-1,6-dien-4-ylamino)methanol has a molecular weight of 155.24 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylhepta-1,6-dien-4-ylamino)methanol is sourced from PubChem (CID 139767706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).