2-imino-4-methylpentan-3-amine

C6H14N2 — CID 123818316

IUPAC2-imino-4-methylpentan-3-amine
SMILES[H]/N=C(\C)C(N)C(C)C
InChIInChI=1S/C6H14N2/c1-4(2)6(8)5(3)7/h4,6-7H,8H2,1-3H3/b7-5+
InChIKeyAOXNDVMVPIHVTO-FNORWQNLSA-N
MW114.19 g/mol
LogP1.01
Rot. Bonds2

About 2-imino-4-methylpentan-3-amine

2-imino-4-methylpentan-3-amine (PubChem CID 123818316) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is 2-imino-4-methylpentan-3-amine.

Molecular Properties

Compound Name2-imino-4-methylpentan-3-amine
PubChem CID123818316
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name2-imino-4-methylpentan-3-amine
SMILES[H]/N=C(\C)C(N)C(C)C
InChIInChI=1S/C6H14N2/c1-4(2)6(8)5(3)7/h4,6-7H,8H2,1-3H3/b7-5+
InChIKeyAOXNDVMVPIHVTO-FNORWQNLSA-N
XLogP1.01
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-imino-4-methylpentan-3-amine?
The IUPAC name of 2-imino-4-methylpentan-3-amine (CID 123818316) is 2-imino-4-methylpentan-3-amine.
What is the SMILES notation for 2-imino-4-methylpentan-3-amine?
The canonical SMILES for 2-imino-4-methylpentan-3-amine is [H]/N=C(\C)C(N)C(C)C.
What is the InChIKey of 2-imino-4-methylpentan-3-amine?
The InChIKey is AOXNDVMVPIHVTO-FNORWQNLSA-N. The full InChI is InChI=1S/C6H14N2/c1-4(2)6(8)5(3)7/h4,6-7H,8H2,1-3H3/b7-5+.
What are the key properties of 2-imino-4-methylpentan-3-amine?
2-imino-4-methylpentan-3-amine has a molecular weight of 114.19 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-4-methylpentan-3-amine is sourced from PubChem (CID 123818316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).