5-methyl-3-(prop-2-enylideneamino)hexan-1-amine

C10H20N2 — CID 174356895

IUPAC5-methyl-3-(prop-2-enylideneamino)hexan-1-amine
SMILESC=C/C=N/C(CCN)CC(C)C
InChIInChI=1S/C10H20N2/c1-4-7-12-10(5-6-11)8-9(2)3/h4,7,9-10H,1,5-6,8,11H2,2-3H3/b12-7+
InChIKeyVQLJXCVARKFVKE-KPKJPENVSA-N
MW168.28 g/mol
LogP2.01
Rot. Bonds6

About 5-methyl-3-(prop-2-enylideneamino)hexan-1-amine

5-methyl-3-(prop-2-enylideneamino)hexan-1-amine (PubChem CID 174356895) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 5-methyl-3-(prop-2-enylideneamino)hexan-1-amine.

Molecular Properties

Compound Name5-methyl-3-(prop-2-enylideneamino)hexan-1-amine
PubChem CID174356895
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name5-methyl-3-(prop-2-enylideneamino)hexan-1-amine
SMILESC=C/C=N/C(CCN)CC(C)C
InChIInChI=1S/C10H20N2/c1-4-7-12-10(5-6-11)8-9(2)3/h4,7,9-10H,1,5-6,8,11H2,2-3H3/b12-7+
InChIKeyVQLJXCVARKFVKE-KPKJPENVSA-N
XLogP2.01
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(5-methylhexan-3-ylimino)prop-1-en-1-amine
CID 178004465

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(prop-2-enylideneamino)hexan-1-amine?
The IUPAC name of 5-methyl-3-(prop-2-enylideneamino)hexan-1-amine (CID 174356895) is 5-methyl-3-(prop-2-enylideneamino)hexan-1-amine.
What is the SMILES notation for 5-methyl-3-(prop-2-enylideneamino)hexan-1-amine?
The canonical SMILES for 5-methyl-3-(prop-2-enylideneamino)hexan-1-amine is C=C/C=N/C(CCN)CC(C)C.
What is the InChIKey of 5-methyl-3-(prop-2-enylideneamino)hexan-1-amine?
The InChIKey is VQLJXCVARKFVKE-KPKJPENVSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-7-12-10(5-6-11)8-9(2)3/h4,7,9-10H,1,5-6,8,11H2,2-3H3/b12-7+.
What are the key properties of 5-methyl-3-(prop-2-enylideneamino)hexan-1-amine?
5-methyl-3-(prop-2-enylideneamino)hexan-1-amine has a molecular weight of 168.28 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(prop-2-enylideneamino)hexan-1-amine is sourced from PubChem (CID 174356895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).