2-methyl-4-methyliminopentan-3-amine

C7H16N2 — CID 123371667

IUPAC2-methyl-4-methyliminopentan-3-amine
SMILESC/N=C(\C)C(N)C(C)C
InChIInChI=1S/C7H16N2/c1-5(2)7(8)6(3)9-4/h5,7H,8H2,1-4H3/b9-6+
InChIKeyFKEKMWWSDWUPKW-RMKNXTFCSA-N
MW128.22 g/mol
LogP1.06
Rot. Bonds2

About 2-methyl-4-methyliminopentan-3-amine

2-methyl-4-methyliminopentan-3-amine (PubChem CID 123371667) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 2-methyl-4-methyliminopentan-3-amine.

Molecular Properties

Compound Name2-methyl-4-methyliminopentan-3-amine
PubChem CID123371667
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name2-methyl-4-methyliminopentan-3-amine
SMILESC/N=C(\C)C(N)C(C)C
InChIInChI=1S/C7H16N2/c1-5(2)7(8)6(3)9-4/h5,7H,8H2,1-4H3/b9-6+
InChIKeyFKEKMWWSDWUPKW-RMKNXTFCSA-N
XLogP1.06
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.06
H-Bond Donors ≤ 51
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-methyl-4-methyliminopentan-3-amine?
The IUPAC name of 2-methyl-4-methyliminopentan-3-amine (CID 123371667) is 2-methyl-4-methyliminopentan-3-amine.
What is the SMILES notation for 2-methyl-4-methyliminopentan-3-amine?
The canonical SMILES for 2-methyl-4-methyliminopentan-3-amine is C/N=C(\C)C(N)C(C)C.
What is the InChIKey of 2-methyl-4-methyliminopentan-3-amine?
The InChIKey is FKEKMWWSDWUPKW-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H16N2/c1-5(2)7(8)6(3)9-4/h5,7H,8H2,1-4H3/b9-6+.
What are the key properties of 2-methyl-4-methyliminopentan-3-amine?
2-methyl-4-methyliminopentan-3-amine has a molecular weight of 128.22 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methyliminopentan-3-amine is sourced from PubChem (CID 123371667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).