N-[2-(dicyclopentylamino)ethyl]imidazole-1-carboxamide

C16H26N4O — CID 20816823

IUPACN-[2-(dicyclopentylamino)ethyl]imidazole-1-carboxamide
SMILESO=C(NCCN(C1CCCC1)C1CCCC1)n1ccnc1
InChIInChI=1S/C16H26N4O/c21-16(19-11-9-17-13-19)18-10-12-20(14-5-1-2-6-14)15-7-3-4-8-15/h9,11,13-15H,1-8,10,12H2,(H,18,21)
InChIKeyYJHQOACGFMUEOT-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.63
Rot. Bonds5

About N-[2-(dicyclopentylamino)ethyl]imidazole-1-carboxamide

N-[2-(dicyclopentylamino)ethyl]imidazole-1-carboxamide (PubChem CID 20816823) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[2-(dicyclopentylamino)ethyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dicyclopentylamino)ethyl]imidazole-1-carboxamide
PubChem CID20816823
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-[2-(dicyclopentylamino)ethyl]imidazole-1-carboxamide
SMILESO=C(NCCN(C1CCCC1)C1CCCC1)n1ccnc1
InChIInChI=1S/C16H26N4O/c21-16(19-11-9-17-13-19)18-10-12-20(14-5-1-2-6-14)15-7-3-4-8-15/h9,11,13-15H,1-8,10,12H2,(H,18,21)
InChIKeyYJHQOACGFMUEOT-UHFFFAOYSA-N
XLogP2.63
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dicyclopentylamino)ethyl]imidazole-1-carboxamide?
The IUPAC name of N-[2-(dicyclopentylamino)ethyl]imidazole-1-carboxamide (CID 20816823) is N-[2-(dicyclopentylamino)ethyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[2-(dicyclopentylamino)ethyl]imidazole-1-carboxamide?
The canonical SMILES for N-[2-(dicyclopentylamino)ethyl]imidazole-1-carboxamide is O=C(NCCN(C1CCCC1)C1CCCC1)n1ccnc1.
What is the InChIKey of N-[2-(dicyclopentylamino)ethyl]imidazole-1-carboxamide?
The InChIKey is YJHQOACGFMUEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c21-16(19-11-9-17-13-19)18-10-12-20(14-5-1-2-6-14)15-7-3-4-8-15/h9,11,13-15H,1-8,10,12H2,(H,18,21).
What are the key properties of N-[2-(dicyclopentylamino)ethyl]imidazole-1-carboxamide?
N-[2-(dicyclopentylamino)ethyl]imidazole-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dicyclopentylamino)ethyl]imidazole-1-carboxamide is sourced from PubChem (CID 20816823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).