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

C15H27N3 — CID 114531428

IUPACN-[[1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CCc2nccn2C)CCCC1
InChIInChI=1S/C15H27N3/c1-13(2)17-12-15(7-4-5-8-15)9-6-14-16-10-11-18(14)3/h10-11,13,17H,4-9,12H2,1-3H3
InChIKeyOJAVFJZVQTUQFV-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.91
Rot. Bonds6

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

N-[[1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentyl]methyl]propan-2-amine (PubChem CID 114531428) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[[1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentyl]methyl]propan-2-amine
PubChem CID114531428
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[[1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CCc2nccn2C)CCCC1
InChIInChI=1S/C15H27N3/c1-13(2)17-12-15(7-4-5-8-15)9-6-14-16-10-11-18(14)3/h10-11,13,17H,4-9,12H2,1-3H3
InChIKeyOJAVFJZVQTUQFV-UHFFFAOYSA-N
XLogP2.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[1-(bromomethyl)cyclopentyl]ethyl]-1-methylimidazole
CID 114532734
1-[4-tert-butyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine
CID 114531439
2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]-1-methylimidazole
CID 106798396
1-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 65210949
N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 63741934
4-(1-methylimidazol-2-yl)-1-(propan-2-ylamino)butan-2-ol
CID 114532622
5-(1-methylimidazol-2-yl)-N-propan-2-ylpentan-1-amine
CID 114532105
1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid
CID 114528834
1-(1-methylcyclopentyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811706
N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropyl]methyl]propan-2-amine
CID 103014617
N-[[4,4-dimethyl-2-[(1-methylimidazol-2-yl)methyl]cyclohexyl]methyl]propan-2-amine
CID 81031100
2-methyl-N-[[2-methyl-3-[2-(1-methylimidazol-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine
CID 114535136

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentyl]methyl]propan-2-amine (CID 114531428) is N-[[1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentyl]methyl]propan-2-amine is CC(C)NCC1(CCc2nccn2C)CCCC1.
What is the InChIKey of N-[[1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentyl]methyl]propan-2-amine?
The InChIKey is OJAVFJZVQTUQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-13(2)17-12-15(7-4-5-8-15)9-6-14-16-10-11-18(14)3/h10-11,13,17H,4-9,12H2,1-3H3.
What are the key properties of N-[[1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentyl]methyl]propan-2-amine?
N-[[1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentyl]methyl]propan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 114531428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).