N-butylimidazolidin-1-amine

C7H17N3 — CID 69162172

IUPACN-butylimidazolidin-1-amine
SMILESCCCCNN1CCNC1
InChIInChI=1S/C7H17N3/c1-2-3-4-9-10-6-5-8-7-10/h8-9H,2-7H2,1H3
InChIKeyMWGHITMBJOQJDI-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.15
Rot. Bonds4

About N-butylimidazolidin-1-amine

N-butylimidazolidin-1-amine (PubChem CID 69162172) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is N-butylimidazolidin-1-amine.

Molecular Properties

Compound NameN-butylimidazolidin-1-amine
PubChem CID69162172
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC NameN-butylimidazolidin-1-amine
SMILESCCCCNN1CCNC1
InChIInChI=1S/C7H17N3/c1-2-3-4-9-10-6-5-8-7-10/h8-9H,2-7H2,1H3
InChIKeyMWGHITMBJOQJDI-UHFFFAOYSA-N
XLogP0.15
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butylimidazolidin-1-amine?
The IUPAC name of N-butylimidazolidin-1-amine (CID 69162172) is N-butylimidazolidin-1-amine.
What is the SMILES notation for N-butylimidazolidin-1-amine?
The canonical SMILES for N-butylimidazolidin-1-amine is CCCCNN1CCNC1.
What is the InChIKey of N-butylimidazolidin-1-amine?
The InChIKey is MWGHITMBJOQJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3/c1-2-3-4-9-10-6-5-8-7-10/h8-9H,2-7H2,1H3.
What are the key properties of N-butylimidazolidin-1-amine?
N-butylimidazolidin-1-amine has a molecular weight of 143.23 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylimidazolidin-1-amine is sourced from PubChem (CID 69162172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).