1-[amino(methyl)amino]-N-propan-2-ylpropan-1-amine

C7H19N3 — CID 118974928

IUPAC1-[amino(methyl)amino]-N-propan-2-ylpropan-1-amine
SMILESCCC(NC(C)C)N(C)N
InChIInChI=1S/C7H19N3/c1-5-7(10(4)8)9-6(2)3/h6-7,9H,5,8H2,1-4H3
InChIKeyFHUJQBNRKVWTOL-UHFFFAOYSA-N
MW145.25 g/mol
LogP0.53
Rot. Bonds4

About 1-[amino(methyl)amino]-N-propan-2-ylpropan-1-amine

1-[amino(methyl)amino]-N-propan-2-ylpropan-1-amine (PubChem CID 118974928) has the molecular formula C7H19N3 and a molecular weight of 145.25 g/mol. Its IUPAC name is 1-[amino(methyl)amino]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-[amino(methyl)amino]-N-propan-2-ylpropan-1-amine
PubChem CID118974928
Molecular FormulaC7H19N3
Molecular Weight145.25 g/mol
Exact Mass145.16
IUPAC Name1-[amino(methyl)amino]-N-propan-2-ylpropan-1-amine
SMILESCCC(NC(C)C)N(C)N
InChIInChI=1S/C7H19N3/c1-5-7(10(4)8)9-6(2)3/h6-7,9H,5,8H2,1-4H3
InChIKeyFHUJQBNRKVWTOL-UHFFFAOYSA-N
XLogP0.53
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 50.53
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]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 1-[amino(methyl)amino]-N-propan-2-ylpropan-1-amine (CID 118974928) is 1-[amino(methyl)amino]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 1-[amino(methyl)amino]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 1-[amino(methyl)amino]-N-propan-2-ylpropan-1-amine is CCC(NC(C)C)N(C)N.
What is the InChIKey of 1-[amino(methyl)amino]-N-propan-2-ylpropan-1-amine?
The InChIKey is FHUJQBNRKVWTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3/c1-5-7(10(4)8)9-6(2)3/h6-7,9H,5,8H2,1-4H3.
What are the key properties of 1-[amino(methyl)amino]-N-propan-2-ylpropan-1-amine?
1-[amino(methyl)amino]-N-propan-2-ylpropan-1-amine has a molecular weight of 145.25 g/mol, XLogP of 0.53, 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]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 118974928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).