(3S)-2-imino-4-methylpentan-3-amine

C6H14N2 — CID 90330132

IUPAC(3S)-2-imino-4-methylpentan-3-amine
SMILES[H]/N=C(\C)[C@@H](N)C(C)C
InChIInChI=1S/C6H14N2/c1-4(2)6(8)5(3)7/h4,6-7H,8H2,1-3H3/b7-5+/t6-/m0/s1
InChIKeyAOXNDVMVPIHVTO-YXXZKMSWSA-N
MW114.19 g/mol
LogP1.01
Rot. Bonds2

About (3S)-2-imino-4-methylpentan-3-amine

(3S)-2-imino-4-methylpentan-3-amine (PubChem CID 90330132) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is (3S)-2-imino-4-methylpentan-3-amine.

Molecular Properties

Compound Name(3S)-2-imino-4-methylpentan-3-amine
PubChem CID90330132
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name(3S)-2-imino-4-methylpentan-3-amine
SMILES[H]/N=C(\C)[C@@H](N)C(C)C
InChIInChI=1S/C6H14N2/c1-4(2)6(8)5(3)7/h4,6-7H,8H2,1-3H3/b7-5+/t6-/m0/s1
InChIKeyAOXNDVMVPIHVTO-YXXZKMSWSA-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'}

Analyze (3S)-2-imino-4-methylpentan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Imino-4-methylpentan-2-amine
CID 89424627
2-Ethyl-3-iminocyclopropan-1-amine
CID 91006891
4-Imino-5-methylhexan-3-amine
CID 91103014
2-Imino-3-propylcyclopropan-1-amine
CID 91564730
5-Imino-3-methylhexan-2-amine
CID 123192152
3-Imino-2-methylhexan-1-amine
CID 123218545
4-Methyl-3-methyliminopentan-2-amine
CID 123248313
2-Methyl-4-methyliminopentan-3-amine
CID 123371667
5-Imino-4-methylpentan-2-amine
CID 123629957
4-Imino-3-methylpentan-2-amine
CID 123658605
4-Imino-5-methylhexan-2-amine
CID 123764334
2-Imino-4-methylpentan-3-amine
CID 123818316

Frequently Asked Questions

What is the IUPAC name of (3S)-2-imino-4-methylpentan-3-amine?
The IUPAC name of (3S)-2-imino-4-methylpentan-3-amine (CID 90330132) is (3S)-2-imino-4-methylpentan-3-amine.
What is the SMILES notation for (3S)-2-imino-4-methylpentan-3-amine?
The canonical SMILES for (3S)-2-imino-4-methylpentan-3-amine is [H]/N=C(\C)[C@@H](N)C(C)C.
What is the InChIKey of (3S)-2-imino-4-methylpentan-3-amine?
The InChIKey is AOXNDVMVPIHVTO-YXXZKMSWSA-N. The full InChI is InChI=1S/C6H14N2/c1-4(2)6(8)5(3)7/h4,6-7H,8H2,1-3H3/b7-5+/t6-/m0/s1.
What are the key properties of (3S)-2-imino-4-methylpentan-3-amine?
(3S)-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 (3S)-2-imino-4-methylpentan-3-amine is sourced from PubChem (CID 90330132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).