1-[amino(methyl)amino]pentan-1-amine

C6H17N3 — CID 87708905

IUPAC1-[amino(methyl)amino]pentan-1-amine
SMILESCCCCC(N)N(C)N
InChIInChI=1S/C6H17N3/c1-3-4-5-6(7)9(2)8/h6H,3-5,7-8H2,1-2H3
InChIKeyJWOMGQVUNAPUND-UHFFFAOYSA-N
MW131.22 g/mol
LogP0.27
Rot. Bonds4

About 1-[amino(methyl)amino]pentan-1-amine

1-[amino(methyl)amino]pentan-1-amine (PubChem CID 87708905) has the molecular formula C6H17N3 and a molecular weight of 131.22 g/mol. Its IUPAC name is 1-[amino(methyl)amino]pentan-1-amine.

Molecular Properties

Compound Name1-[amino(methyl)amino]pentan-1-amine
PubChem CID87708905
Molecular FormulaC6H17N3
Molecular Weight131.22 g/mol
Exact Mass131.14
IUPAC Name1-[amino(methyl)amino]pentan-1-amine
SMILESCCCCC(N)N(C)N
InChIInChI=1S/C6H17N3/c1-3-4-5-6(7)9(2)8/h6H,3-5,7-8H2,1-2H3
InChIKeyJWOMGQVUNAPUND-UHFFFAOYSA-N
XLogP0.27
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[amino(methyl)amino]pentan-1-amine?
The IUPAC name of 1-[amino(methyl)amino]pentan-1-amine (CID 87708905) is 1-[amino(methyl)amino]pentan-1-amine.
What is the SMILES notation for 1-[amino(methyl)amino]pentan-1-amine?
The canonical SMILES for 1-[amino(methyl)amino]pentan-1-amine is CCCCC(N)N(C)N.
What is the InChIKey of 1-[amino(methyl)amino]pentan-1-amine?
The InChIKey is JWOMGQVUNAPUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N3/c1-3-4-5-6(7)9(2)8/h6H,3-5,7-8H2,1-2H3.
What are the key properties of 1-[amino(methyl)amino]pentan-1-amine?
1-[amino(methyl)amino]pentan-1-amine has a molecular weight of 131.22 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(methyl)amino]pentan-1-amine is sourced from PubChem (CID 87708905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).