N-[1-cyclopropyl-2-(2-methylimidazol-1-yl)ethyl]propan-1-amine

C12H21N3 — CID 63912853

IUPACN-[1-cyclopropyl-2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
SMILESCCCNC(Cn1ccnc1C)C1CC1
InChIInChI=1S/C12H21N3/c1-3-6-14-12(11-4-5-11)9-15-8-7-13-10(15)2/h7-8,11-12,14H,3-6,9H2,1-2H3
InChIKeyDZCSVOJGYVZLFN-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.97
Rot. Bonds6

About N-[1-cyclopropyl-2-(2-methylimidazol-1-yl)ethyl]propan-1-amine

N-[1-cyclopropyl-2-(2-methylimidazol-1-yl)ethyl]propan-1-amine (PubChem CID 63912853) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[1-cyclopropyl-2-(2-methylimidazol-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclopropyl-2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
PubChem CID63912853
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[1-cyclopropyl-2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
SMILESCCCNC(Cn1ccnc1C)C1CC1
InChIInChI=1S/C12H21N3/c1-3-6-14-12(11-4-5-11)9-15-8-7-13-10(15)2/h7-8,11-12,14H,3-6,9H2,1-2H3
InChIKeyDZCSVOJGYVZLFN-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-cyclopentyl-2-(2-propylimidazol-1-yl)ethyl]propan-1-amine
CID 104747735
N-[1-cyclohexyl-2-(2-propan-2-ylimidazol-1-yl)ethyl]propan-1-amine
CID 104747255
1-(2-methylimidazol-1-yl)-N-propylpentan-2-amine
CID 62042314
1-cyclopropyl-N-ethyl-2-(2-propan-2-ylimidazol-1-yl)ethanamine
CID 63912643
1-[2-cyclopropyl-2-(propylamino)ethyl]-3-methylpyridin-2-one
CID 63914629
N-[1-(oxolan-3-yl)-2-(2-propylimidazol-1-yl)ethyl]propan-1-amine
CID 104747739
1-cyclopropyl-N-propyl-4-(1-propylimidazol-2-yl)butan-1-amine
CID 79762298
5-[2-cyclopropyl-2-(propylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734770
N-[1-cyclopropyl-2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine
CID 63911994
1-[2-cyclopropyl-2-(propylamino)ethyl]pyridin-4-one
CID 63914624
1-[2-cyclohexyl-2-(propylamino)ethyl]-3-ethylimidazol-2-one
CID 104748010
N-[1-cyclopentyl-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]propan-1-amine
CID 104746081

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-2-(2-methylimidazol-1-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclopropyl-2-(2-methylimidazol-1-yl)ethyl]propan-1-amine (CID 63912853) is N-[1-cyclopropyl-2-(2-methylimidazol-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclopropyl-2-(2-methylimidazol-1-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclopropyl-2-(2-methylimidazol-1-yl)ethyl]propan-1-amine is CCCNC(Cn1ccnc1C)C1CC1.
What is the InChIKey of N-[1-cyclopropyl-2-(2-methylimidazol-1-yl)ethyl]propan-1-amine?
The InChIKey is DZCSVOJGYVZLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-6-14-12(11-4-5-11)9-15-8-7-13-10(15)2/h7-8,11-12,14H,3-6,9H2,1-2H3.
What are the key properties of N-[1-cyclopropyl-2-(2-methylimidazol-1-yl)ethyl]propan-1-amine?
N-[1-cyclopropyl-2-(2-methylimidazol-1-yl)ethyl]propan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-2-(2-methylimidazol-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63912853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).