1-cyclopropyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-1-amine

C13H23N3 — CID 115704915

IUPAC1-cyclopropyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-1-amine
SMILESCC(C)C(NCCCn1ccnc1)C1CC1
InChIInChI=1S/C13H23N3/c1-11(2)13(12-4-5-12)15-6-3-8-16-9-7-14-10-16/h7,9-13,15H,3-6,8H2,1-2H3
InChIKeyWQNFIIFSRNYWKF-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.30
Rot. Bonds7

About 1-cyclopropyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-1-amine

1-cyclopropyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-1-amine (PubChem CID 115704915) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-cyclopropyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-1-amine
PubChem CID115704915
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-cyclopropyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-1-amine
SMILESCC(C)C(NCCCn1ccnc1)C1CC1
InChIInChI=1S/C13H23N3/c1-11(2)13(12-4-5-12)15-6-3-8-16-9-7-14-10-16/h7,9-13,15H,3-6,8H2,1-2H3
InChIKeyWQNFIIFSRNYWKF-UHFFFAOYSA-N
XLogP2.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyclopropylethyl)-3-imidazol-1-ylpropan-1-amine
CID 43126800
N-[(1R)-1-cyclopropylethyl]-3-imidazol-1-ylpropan-1-amine
CID 28993992
N-(1-cyclobutylethyl)-3-imidazol-1-ylpropan-1-amine
CID 115704905
N-(3-imidazol-1-ylpropyl)-2-methylpentan-3-amine
CID 43773808
1-bromo-N-(3-imidazol-1-ylpropyl)-3-methylbutan-2-amine
CID 107859114
2-N-(3-imidazol-1-ylpropyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 54960832
N-[1-(2-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine
CID 43126802
(2R)-N-(3-imidazol-1-ylpropyl)-1-methoxypropan-2-amine
CID 94210912
1-cyclopropyl-N-(2-imidazol-1-ylethyl)propan-2-amine
CID 115706510
N-(3-imidazol-1-ylpropyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541242
methyl 2-(3-imidazol-1-ylpropylamino)-3-methylbutanoate
CID 54961185
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-imidazol-1-ylpropan-1-amine
CID 43773819

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-1-amine?
The IUPAC name of 1-cyclopropyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-1-amine (CID 115704915) is 1-cyclopropyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-1-amine is CC(C)C(NCCCn1ccnc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-1-amine?
The InChIKey is WQNFIIFSRNYWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11(2)13(12-4-5-12)15-6-3-8-16-9-7-14-10-16/h7,9-13,15H,3-6,8H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-1-amine?
1-cyclopropyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-1-amine is sourced from PubChem (CID 115704915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).