2-(3-imino-5-methylhexan-2-yl)imino-5-methylhexan-3-amine

C14H29N3 — CID 91220991

IUPAC2-(3-imino-5-methylhexan-2-yl)imino-5-methylhexan-3-amine
SMILES[H]/N=C(\CC(C)C)C(C)/N=C(\C)C(N)CC(C)C
InChIInChI=1S/C14H29N3/c1-9(2)7-13(15)11(5)17-12(6)14(16)8-10(3)4/h9-11,14-15H,7-8,16H2,1-6H3/b15-13+,17-12+
InChIKeyAVOAVSAZPOAHAM-BXOPFUSLSA-N
MW239.41 g/mol
LogP3.28
Rot. Bonds7

About 2-(3-imino-5-methylhexan-2-yl)imino-5-methylhexan-3-amine

2-(3-imino-5-methylhexan-2-yl)imino-5-methylhexan-3-amine (PubChem CID 91220991) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2-(3-imino-5-methylhexan-2-yl)imino-5-methylhexan-3-amine.

Molecular Properties

Compound Name2-(3-imino-5-methylhexan-2-yl)imino-5-methylhexan-3-amine
PubChem CID91220991
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name2-(3-imino-5-methylhexan-2-yl)imino-5-methylhexan-3-amine
SMILES[H]/N=C(\CC(C)C)C(C)/N=C(\C)C(N)CC(C)C
InChIInChI=1S/C14H29N3/c1-9(2)7-13(15)11(5)17-12(6)14(16)8-10(3)4/h9-11,14-15H,7-8,16H2,1-6H3/b15-13+,17-12+
InChIKeyAVOAVSAZPOAHAM-BXOPFUSLSA-N
XLogP3.28
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-Iminopropylbutylamine
CID 129731486
4-Methyl-6-methyliminohexan-2-amine
CID 23527431
2-Ethyl-4-iminopentan-1-amine
CID 54527559
3-Ethanimidoylheptan-1-amine
CID 58733709
[5-(Ethylideneamino)-4-methylpentan-2-yl]azanium
CID 59074131
(6-Methyl-2,3,4,5-tetrahydropyridin-3-yl)methanamine
CID 70254702
2-[(E)-(4-Methylpentan-2-ylidene)amino]ethan-1-amine
CID 71336667
3-imino-N-(3-imino-5-methylhexan-2-yl)-5-methylhexan-2-amine
CID 87310107
(2S)-4-methyl-2-(2-methyliminoethyl)pentan-1-amine
CID 88553736
2-[(Propan-2-ylideneamino)methyl]pentan-1-imine
CID 89708390
[(5S)-4,6-dimethyl-2,3,4,5-tetrahydropyridin-5-yl]methanamine
CID 89721759
3-(Pentan-2-ylideneamino)hexan-1-amine
CID 90813564

Frequently Asked Questions

What is the IUPAC name of 2-(3-imino-5-methylhexan-2-yl)imino-5-methylhexan-3-amine?
The IUPAC name of 2-(3-imino-5-methylhexan-2-yl)imino-5-methylhexan-3-amine (CID 91220991) is 2-(3-imino-5-methylhexan-2-yl)imino-5-methylhexan-3-amine.
What is the SMILES notation for 2-(3-imino-5-methylhexan-2-yl)imino-5-methylhexan-3-amine?
The canonical SMILES for 2-(3-imino-5-methylhexan-2-yl)imino-5-methylhexan-3-amine is [H]/N=C(\CC(C)C)C(C)/N=C(\C)C(N)CC(C)C.
What is the InChIKey of 2-(3-imino-5-methylhexan-2-yl)imino-5-methylhexan-3-amine?
The InChIKey is AVOAVSAZPOAHAM-BXOPFUSLSA-N. The full InChI is InChI=1S/C14H29N3/c1-9(2)7-13(15)11(5)17-12(6)14(16)8-10(3)4/h9-11,14-15H,7-8,16H2,1-6H3/b15-13+,17-12+.
What are the key properties of 2-(3-imino-5-methylhexan-2-yl)imino-5-methylhexan-3-amine?
2-(3-imino-5-methylhexan-2-yl)imino-5-methylhexan-3-amine has a molecular weight of 239.41 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-imino-5-methylhexan-2-yl)imino-5-methylhexan-3-amine is sourced from PubChem (CID 91220991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).