N-[1-[methylamino(propyl)amino]propyl]butan-1-amine

C11H27N3 — CID 88694951

IUPACN-[1-[methylamino(propyl)amino]propyl]butan-1-amine
SMILESCCCCNC(CC)N(CCC)NC
InChIInChI=1S/C11H27N3/c1-5-8-9-13-11(7-3)14(12-4)10-6-2/h11-13H,5-10H2,1-4H3
InChIKeyXMMMVRJVJMELJW-UHFFFAOYSA-N
MW201.36 g/mol
LogP1.96
Rot. Bonds9

About N-[1-[methylamino(propyl)amino]propyl]butan-1-amine

N-[1-[methylamino(propyl)amino]propyl]butan-1-amine (PubChem CID 88694951) has the molecular formula C11H27N3 and a molecular weight of 201.36 g/mol. Its IUPAC name is N-[1-[methylamino(propyl)amino]propyl]butan-1-amine.

Molecular Properties

Compound NameN-[1-[methylamino(propyl)amino]propyl]butan-1-amine
PubChem CID88694951
Molecular FormulaC11H27N3
Molecular Weight201.36 g/mol
Exact Mass201.22
IUPAC NameN-[1-[methylamino(propyl)amino]propyl]butan-1-amine
SMILESCCCCNC(CC)N(CCC)NC
InChIInChI=1S/C11H27N3/c1-5-8-9-13-11(7-3)14(12-4)10-6-2/h11-13H,5-10H2,1-4H3
InChIKeyXMMMVRJVJMELJW-UHFFFAOYSA-N
XLogP1.96
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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 N-[1-[methylamino(propyl)amino]propyl]butan-1-amine?
The IUPAC name of N-[1-[methylamino(propyl)amino]propyl]butan-1-amine (CID 88694951) is N-[1-[methylamino(propyl)amino]propyl]butan-1-amine.
What is the SMILES notation for N-[1-[methylamino(propyl)amino]propyl]butan-1-amine?
The canonical SMILES for N-[1-[methylamino(propyl)amino]propyl]butan-1-amine is CCCCNC(CC)N(CCC)NC.
What is the InChIKey of N-[1-[methylamino(propyl)amino]propyl]butan-1-amine?
The InChIKey is XMMMVRJVJMELJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3/c1-5-8-9-13-11(7-3)14(12-4)10-6-2/h11-13H,5-10H2,1-4H3.
What are the key properties of N-[1-[methylamino(propyl)amino]propyl]butan-1-amine?
N-[1-[methylamino(propyl)amino]propyl]butan-1-amine has a molecular weight of 201.36 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[methylamino(propyl)amino]propyl]butan-1-amine is sourced from PubChem (CID 88694951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).