N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-1-methylcyclopentane-1-carboxamide

C15H26N4O — CID 135094657

IUPACN-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-1-methylcyclopentane-1-carboxamide
SMILESCN(C)CCN(Cc1cnc[nH]1)C(=O)C1(C)CCCC1
InChIInChI=1S/C15H26N4O/c1-15(6-4-5-7-15)14(20)19(9-8-18(2)3)11-13-10-16-12-17-13/h10,12H,4-9,11H2,1-3H3,(H,16,17)
InChIKeyHJTLNWUUCVVZHH-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.88
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-1-methylcyclopentane-1-carboxamide

N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-1-methylcyclopentane-1-carboxamide (PubChem CID 135094657) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-1-methylcyclopentane-1-carboxamide
PubChem CID135094657
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-1-methylcyclopentane-1-carboxamide
SMILESCN(C)CCN(Cc1cnc[nH]1)C(=O)C1(C)CCCC1
InChIInChI=1S/C15H26N4O/c1-15(6-4-5-7-15)14(20)19(9-8-18(2)3)11-13-10-16-12-17-13/h10,12H,4-9,11H2,1-3H3,(H,16,17)
InChIKeyHJTLNWUUCVVZHH-UHFFFAOYSA-N
XLogP1.88
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-1-methylcyclopentane-1-carboxamide (CID 135094657) is N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-1-methylcyclopentane-1-carboxamide is CN(C)CCN(Cc1cnc[nH]1)C(=O)C1(C)CCCC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-1-methylcyclopentane-1-carboxamide?
The InChIKey is HJTLNWUUCVVZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-15(6-4-5-7-15)14(20)19(9-8-18(2)3)11-13-10-16-12-17-13/h10,12H,4-9,11H2,1-3H3,(H,16,17).
What are the key properties of N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-1-methylcyclopentane-1-carboxamide?
N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-1-methylcyclopentane-1-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 135094657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).