4,6-diimino-N-methylheptan-3-amine

C8H17N3 — CID 123227911

IUPAC4,6-diimino-N-methylheptan-3-amine
SMILES[H]/N=C(\C)C/C(=N\[H])C(CC)NC
InChIInChI=1S/C8H17N3/c1-4-8(11-3)7(10)5-6(2)9/h8-11H,4-5H2,1-3H3/b9-6+,10-7+
InChIKeyJELCFZZXUWXSIC-KZZDLZNXSA-N
MW155.25 g/mol
LogP1.43
Rot. Bonds5

About 4,6-diimino-N-methylheptan-3-amine

4,6-diimino-N-methylheptan-3-amine (PubChem CID 123227911) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is 4,6-diimino-N-methylheptan-3-amine.

Molecular Properties

Compound Name4,6-diimino-N-methylheptan-3-amine
PubChem CID123227911
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name4,6-diimino-N-methylheptan-3-amine
SMILES[H]/N=C(\C)C/C(=N\[H])C(CC)NC
InChIInChI=1S/C8H17N3/c1-4-8(11-3)7(10)5-6(2)9/h8-11H,4-5H2,1-3H3/b9-6+,10-7+
InChIKeyJELCFZZXUWXSIC-KZZDLZNXSA-N
XLogP1.43
TPSA59.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-iminopentan-3-amine
CID 174551929
3-imino-N,4-dimethylhexan-2-amine
CID 146640500
3-iminobutanimidoyl bromide
CID 118688687
2-N-ethyl-5-methylhexane-2,4-diimine
CID 123963604
6-methyl-5-methylideneoctan-2-imine
CID 123962275
2-iminoheptan-4-one
CID 54339625
(2S)-2-(methylamino)butanoyl iodide
CID 163605263
ethane;2-(methylamino)butanoic acid
CID 91558033
4,5,6-trimethyloctan-2-imine
CID 123170973
(Z)-5-(methylamino)hept-2-en-4-one
CID 123783043
4,7-dimethylnonan-2-imine
CID 123346808
2-N,5-dimethylhexane-2,4-diimine
CID 123840762

Frequently Asked Questions

What is the IUPAC name of 4,6-diimino-N-methylheptan-3-amine?
The IUPAC name of 4,6-diimino-N-methylheptan-3-amine (CID 123227911) is 4,6-diimino-N-methylheptan-3-amine.
What is the SMILES notation for 4,6-diimino-N-methylheptan-3-amine?
The canonical SMILES for 4,6-diimino-N-methylheptan-3-amine is [H]/N=C(\C)C/C(=N\[H])C(CC)NC.
What is the InChIKey of 4,6-diimino-N-methylheptan-3-amine?
The InChIKey is JELCFZZXUWXSIC-KZZDLZNXSA-N. The full InChI is InChI=1S/C8H17N3/c1-4-8(11-3)7(10)5-6(2)9/h8-11H,4-5H2,1-3H3/b9-6+,10-7+.
What are the key properties of 4,6-diimino-N-methylheptan-3-amine?
4,6-diimino-N-methylheptan-3-amine has a molecular weight of 155.25 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diimino-N-methylheptan-3-amine is sourced from PubChem (CID 123227911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).