1-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]cyclopentane-1-carboxamide

C12H20N4O — CID 115741048

IUPAC1-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]cyclopentane-1-carboxamide
SMILESNCC1(C(=O)NCCc2ncc[nH]2)CCCC1
InChIInChI=1S/C12H20N4O/c13-9-12(4-1-2-5-12)11(17)16-6-3-10-14-7-8-15-10/h7-8H,1-6,9,13H2,(H,14,15)(H,16,17)
InChIKeyLORFDBBMDUDYHD-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.59
Rot. Bonds5

About 1-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]cyclopentane-1-carboxamide

1-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]cyclopentane-1-carboxamide (PubChem CID 115741048) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]cyclopentane-1-carboxamide
PubChem CID115741048
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]cyclopentane-1-carboxamide
SMILESNCC1(C(=O)NCCc2ncc[nH]2)CCCC1
InChIInChI=1S/C12H20N4O/c13-9-12(4-1-2-5-12)11(17)16-6-3-10-14-7-8-15-10/h7-8H,1-6,9,13H2,(H,14,15)(H,16,17)
InChIKeyLORFDBBMDUDYHD-UHFFFAOYSA-N
XLogP0.59
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Treamid
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8-(1H-imidazol-2-ylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one
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2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
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2-cyclopentyl-N-(2-imidazol-1-ylethyl)acetamide
CID 47020068
(1S*,3R*)-3-amino-N-[3-(2-ethyl-1H-imidazol-1-yl)propyl]cyclopentanecarboxamide
CID 56894203
1-[3-ethyl-4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 71927379
4-(1H-imidazol-2-yl)-1-(pyrrolidin-3-ylacetyl)piperidine
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N-(1H-Imidazol-2-ylmethyl)-3-(2-oxoazepan-1-YL)propanamide
CID 77095355
(3S)-N-[3-(1H-imidazol-2-yl)propyl]-1,2,2-trimethyl-5-oxopyrrolidine-3-carboxamide
CID 124756904
[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-(3,3,5-trimethylcyclohexyl)methanone
CID 126832130

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]cyclopentane-1-carboxamide (CID 115741048) is 1-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]cyclopentane-1-carboxamide is NCC1(C(=O)NCCc2ncc[nH]2)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is LORFDBBMDUDYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c13-9-12(4-1-2-5-12)11(17)16-6-3-10-14-7-8-15-10/h7-8H,1-6,9,13H2,(H,14,15)(H,16,17).
What are the key properties of 1-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]cyclopentane-1-carboxamide?
1-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 115741048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).