1-cyclopentyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine

C13H23N3 — CID 105011635

IUPAC1-cyclopentyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
SMILESCNC(Cc1nccn1C)CC1CCCC1
InChIInChI=1S/C13H23N3/c1-14-12(9-11-5-3-4-6-11)10-13-15-7-8-16(13)2/h7-8,11-12,14H,3-6,9-10H2,1-2H3
InChIKeyBBDQPUKCTSCQBL-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.13
Rot. Bonds5

About 1-cyclopentyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine

1-cyclopentyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine (PubChem CID 105011635) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-cyclopentyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
PubChem CID105011635
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-cyclopentyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
SMILESCNC(Cc1nccn1C)CC1CCCC1
InChIInChI=1S/C13H23N3/c1-14-12(9-11-5-3-4-6-11)10-13-15-7-8-16(13)2/h7-8,11-12,14H,3-6,9-10H2,1-2H3
InChIKeyBBDQPUKCTSCQBL-UHFFFAOYSA-N
XLogP2.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 63352794
[4-cyclopentyl-1-(1-methylimidazol-2-yl)butan-2-yl]hydrazine
CID 105322962
[1-cycloheptyl-4-(1-methylimidazol-2-yl)butan-2-yl]hydrazine
CID 105340281
1-(3-ethylcyclohexyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 79761386
1-cyclobutyl-3-(1-methylimidazol-2-yl)propan-2-ol
CID 103170139
N-methyl-1-(4-methylcyclohexyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 79752220
4-methoxy-N-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 79751381
N-methyl-1-(3-methylcyclopentyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 79762232
1-cyclobutyl-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530243
N-methyl-2-(1-methylimidazol-2-yl)-1-(thiolan-2-yl)ethanamine
CID 80622951
N-methyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-2-amine
CID 79752421
1-(2,2-dimethylcyclohexyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 107189965

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine?
The IUPAC name of 1-cyclopentyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine (CID 105011635) is 1-cyclopentyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-cyclopentyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine?
The canonical SMILES for 1-cyclopentyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine is CNC(Cc1nccn1C)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine?
The InChIKey is BBDQPUKCTSCQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-14-12(9-11-5-3-4-6-11)10-13-15-7-8-16(13)2/h7-8,11-12,14H,3-6,9-10H2,1-2H3.
What are the key properties of 1-cyclopentyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine?
1-cyclopentyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 105011635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).