5-methyl-6-methyliminoheptan-1-amine

C9H20N2 — CID 91431580

IUPAC5-methyl-6-methyliminoheptan-1-amine
SMILESC/N=C(\C)C(C)CCCCN
InChIInChI=1S/C9H20N2/c1-8(9(2)11-3)6-4-5-7-10/h8H,4-7,10H2,1-3H3/b11-9+
InChIKeyDIWFRLTZAGVFIE-PKNBQFBNSA-N
MW156.27 g/mol
LogP1.84
Rot. Bonds5

About 5-methyl-6-methyliminoheptan-1-amine

5-methyl-6-methyliminoheptan-1-amine (PubChem CID 91431580) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 5-methyl-6-methyliminoheptan-1-amine.

Molecular Properties

Compound Name5-methyl-6-methyliminoheptan-1-amine
PubChem CID91431580
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name5-methyl-6-methyliminoheptan-1-amine
SMILESC/N=C(\C)C(C)CCCCN
InChIInChI=1S/C9H20N2/c1-8(9(2)11-3)6-4-5-7-10/h8H,4-7,10H2,1-3H3/b11-9+
InChIKeyDIWFRLTZAGVFIE-PKNBQFBNSA-N
XLogP1.84
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-pentyl-4,5-dihydro-3H-pyrrole
CID 90658301
3,4-Iminopropylbutylamine
CID 129731486
1-Methyl-4-methyliminocyclohexan-1-amine
CID 21134162
3-(5,6-dimethyl-3,4-dihydro-2H-pyridin-5-yl)propan-1-amine
CID 21817485
4-Methyl-6-methyliminohexan-2-amine
CID 23527431
3,4-Dimethyl-5-methyliminohexan-3-amine
CID 23561629
2-Ethyl-4-iminopentan-1-amine
CID 54527559
4-[(Ethylideneamino)methyl]-2-methylhexan-1-amine
CID 57574473
3-Ethanimidoylheptan-1-amine
CID 58733709
(6-Methyl-2,3,4,5-tetrahydropyridin-3-yl)methanamine
CID 70254702
2-[(E)-(4-Methylpentan-2-ylidene)amino]ethan-1-amine
CID 71336667
3,4-Dimethyl-2-methyliminohexan-3-amine
CID 88059783

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-methyliminoheptan-1-amine?
The IUPAC name of 5-methyl-6-methyliminoheptan-1-amine (CID 91431580) is 5-methyl-6-methyliminoheptan-1-amine.
What is the SMILES notation for 5-methyl-6-methyliminoheptan-1-amine?
The canonical SMILES for 5-methyl-6-methyliminoheptan-1-amine is C/N=C(\C)C(C)CCCCN.
What is the InChIKey of 5-methyl-6-methyliminoheptan-1-amine?
The InChIKey is DIWFRLTZAGVFIE-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H20N2/c1-8(9(2)11-3)6-4-5-7-10/h8H,4-7,10H2,1-3H3/b11-9+.
What are the key properties of 5-methyl-6-methyliminoheptan-1-amine?
5-methyl-6-methyliminoheptan-1-amine has a molecular weight of 156.27 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-methyliminoheptan-1-amine is sourced from PubChem (CID 91431580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).