2-methylpropan-1-amine;N'-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine;N'-propan-2-ylethane-1,2-diamine

C16H44N6 — CID 157159870

IUPAC2-methylpropan-1-amine;N'-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine;N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)CN.CC(C)NCCN.CC(C)NCCNCCN
InChIInChI=1S/C7H19N3.C5H14N2.C4H11N/c1-7(2)10-6-5-9-4-3-8;1-5(2)7-4-3-6;1-4(2)3-5/h7,9-10H,3-6,8H2,1-2H3;5,7H,3-4,6H2,1-2H3;4H,3,5H2,1-2H3
InChIKeyAMFZHCHKTSJFGO-UHFFFAOYSA-N
MW320.57 g/mol
LogP0.08
Rot. Bonds10

About 2-methylpropan-1-amine;N'-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine;N'-propan-2-ylethane-1,2-diamine

2-methylpropan-1-amine;N'-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine;N'-propan-2-ylethane-1,2-diamine (PubChem CID 157159870) has the molecular formula C16H44N6 and a molecular weight of 320.57 g/mol. Its IUPAC name is 2-methylpropan-1-amine;N'-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine;N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name2-methylpropan-1-amine;N'-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine;N'-propan-2-ylethane-1,2-diamine
PubChem CID157159870
Molecular FormulaC16H44N6
Molecular Weight320.57 g/mol
Exact Mass320.36
IUPAC Name2-methylpropan-1-amine;N'-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine;N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)CN.CC(C)NCCN.CC(C)NCCNCCN
InChIInChI=1S/C7H19N3.C5H14N2.C4H11N/c1-7(2)10-6-5-9-4-3-8;1-5(2)7-4-3-6;1-4(2)3-5/h7,9-10H,3-6,8H2,1-2H3;5,7H,3-4,6H2,1-2H3;4H,3,5H2,1-2H3
InChIKeyAMFZHCHKTSJFGO-UHFFFAOYSA-N
XLogP0.08
TPSA114.15 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.57
LogP ≤ 50.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-methylpropan-1-amine;N'-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine;N'-propan-2-ylethane-1,2-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-1-amine;N'-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine;N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of 2-methylpropan-1-amine;N'-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine;N'-propan-2-ylethane-1,2-diamine (CID 157159870) is 2-methylpropan-1-amine;N'-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine;N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 2-methylpropan-1-amine;N'-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine;N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 2-methylpropan-1-amine;N'-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine;N'-propan-2-ylethane-1,2-diamine is CC(C)CN.CC(C)NCCN.CC(C)NCCNCCN.
What is the InChIKey of 2-methylpropan-1-amine;N'-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine;N'-propan-2-ylethane-1,2-diamine?
The InChIKey is AMFZHCHKTSJFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3.C5H14N2.C4H11N/c1-7(2)10-6-5-9-4-3-8;1-5(2)7-4-3-6;1-4(2)3-5/h7,9-10H,3-6,8H2,1-2H3;5,7H,3-4,6H2,1-2H3;4H,3,5H2,1-2H3.
What are the key properties of 2-methylpropan-1-amine;N'-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine;N'-propan-2-ylethane-1,2-diamine?
2-methylpropan-1-amine;N'-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine;N'-propan-2-ylethane-1,2-diamine has a molecular weight of 320.57 g/mol, XLogP of 0.08, 10 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-1-amine;N'-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine;N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 157159870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).