N-(1-cyclobutylethyl)-3-imidazol-1-ylpropan-1-amine

C12H21N3 — CID 115704905

IUPACN-(1-cyclobutylethyl)-3-imidazol-1-ylpropan-1-amine
SMILESCC(NCCCn1ccnc1)C1CCC1
InChIInChI=1S/C12H21N3/c1-11(12-4-2-5-12)14-6-3-8-15-9-7-13-10-15/h7,9-12,14H,2-6,8H2,1H3
InChIKeyOMNCDWDCKCUOGH-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.05
Rot. Bonds6

About N-(1-cyclobutylethyl)-3-imidazol-1-ylpropan-1-amine

N-(1-cyclobutylethyl)-3-imidazol-1-ylpropan-1-amine (PubChem CID 115704905) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-(1-cyclobutylethyl)-3-imidazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(1-cyclobutylethyl)-3-imidazol-1-ylpropan-1-amine
PubChem CID115704905
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-(1-cyclobutylethyl)-3-imidazol-1-ylpropan-1-amine
SMILESCC(NCCCn1ccnc1)C1CCC1
InChIInChI=1S/C12H21N3/c1-11(12-4-2-5-12)14-6-3-8-15-9-7-13-10-15/h7,9-12,14H,2-6,8H2,1H3
InChIKeyOMNCDWDCKCUOGH-UHFFFAOYSA-N
XLogP2.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.05
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
1-cyclopropyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-1-amine
CID 115704915
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-imidazol-1-ylpropan-1-amine
CID 43773819
N-(3-imidazol-1-ylpropyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541242
1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]-N-methylethanamine
CID 63853072
N-(3-imidazol-1-ylpropyl)-2-methylpentan-3-amine
CID 43773808
N-[cyclopentyl(thiophen-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 43773858
(2R)-N-(3-imidazol-1-ylpropyl)-1-methoxypropan-2-amine
CID 94210912
1-cyclopropyl-N-(2-imidazol-1-ylethyl)propan-2-amine
CID 115706510
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

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylethyl)-3-imidazol-1-ylpropan-1-amine?
The IUPAC name of N-(1-cyclobutylethyl)-3-imidazol-1-ylpropan-1-amine (CID 115704905) is N-(1-cyclobutylethyl)-3-imidazol-1-ylpropan-1-amine.
What is the SMILES notation for N-(1-cyclobutylethyl)-3-imidazol-1-ylpropan-1-amine?
The canonical SMILES for N-(1-cyclobutylethyl)-3-imidazol-1-ylpropan-1-amine is CC(NCCCn1ccnc1)C1CCC1.
What is the InChIKey of N-(1-cyclobutylethyl)-3-imidazol-1-ylpropan-1-amine?
The InChIKey is OMNCDWDCKCUOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-11(12-4-2-5-12)14-6-3-8-15-9-7-13-10-15/h7,9-12,14H,2-6,8H2,1H3.
What are the key properties of N-(1-cyclobutylethyl)-3-imidazol-1-ylpropan-1-amine?
N-(1-cyclobutylethyl)-3-imidazol-1-ylpropan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylethyl)-3-imidazol-1-ylpropan-1-amine is sourced from PubChem (CID 115704905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).