2-imidazol-1-yl-N-[(1-methylpyrrol-3-yl)methyl]cyclopentan-1-amine

C14H20N4 — CID 66398331

IUPAC2-imidazol-1-yl-N-[(1-methylpyrrol-3-yl)methyl]cyclopentan-1-amine
SMILESCn1ccc(CNC2CCCC2n2ccnc2)c1
InChIInChI=1S/C14H20N4/c1-17-7-5-12(10-17)9-16-13-3-2-4-14(13)18-8-6-15-11-18/h5-8,10-11,13-14,16H,2-4,9H2,1H3
InChIKeyMTVUCQJUDPDVKK-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.11
Rot. Bonds4

About 2-imidazol-1-yl-N-[(1-methylpyrrol-3-yl)methyl]cyclopentan-1-amine

2-imidazol-1-yl-N-[(1-methylpyrrol-3-yl)methyl]cyclopentan-1-amine (PubChem CID 66398331) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[(1-methylpyrrol-3-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[(1-methylpyrrol-3-yl)methyl]cyclopentan-1-amine
PubChem CID66398331
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-imidazol-1-yl-N-[(1-methylpyrrol-3-yl)methyl]cyclopentan-1-amine
SMILESCn1ccc(CNC2CCCC2n2ccnc2)c1
InChIInChI=1S/C14H20N4/c1-17-7-5-12(10-17)9-16-13-3-2-4-14(13)18-8-6-15-11-18/h5-8,10-11,13-14,16H,2-4,9H2,1H3
InChIKeyMTVUCQJUDPDVKK-UHFFFAOYSA-N
XLogP2.11
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]cyclopentan-1-amine
CID 43734301
N-(furan-3-ylmethyl)-2-imidazol-1-ylcyclopentan-1-amine
CID 63204637
2-imidazol-1-yl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine
CID 63051722
2-imidazol-1-yl-N-(2-methylpropyl)cyclopentan-1-amine
CID 43734339
2-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine
CID 43734304
2-imidazol-1-yl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 43734309
N-[(5-ethylthiophen-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine
CID 55062118
N-[(5-ethylfuran-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine
CID 62345276
2-imidazol-1-yl-N-(2-methylbutyl)cyclopentan-1-amine
CID 43734275
N-[(2-bromophenyl)methyl]-2-imidazol-1-ylcyclopentan-1-amine
CID 43734382
N-butyl-2-imidazol-1-ylcyclopentan-1-amine
CID 43734458
N-[(2-ethoxyphenyl)methyl]-2-imidazol-1-ylcyclopentan-1-amine
CID 43734305

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[(1-methylpyrrol-3-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-imidazol-1-yl-N-[(1-methylpyrrol-3-yl)methyl]cyclopentan-1-amine (CID 66398331) is 2-imidazol-1-yl-N-[(1-methylpyrrol-3-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-imidazol-1-yl-N-[(1-methylpyrrol-3-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-imidazol-1-yl-N-[(1-methylpyrrol-3-yl)methyl]cyclopentan-1-amine is Cn1ccc(CNC2CCCC2n2ccnc2)c1.
What is the InChIKey of 2-imidazol-1-yl-N-[(1-methylpyrrol-3-yl)methyl]cyclopentan-1-amine?
The InChIKey is MTVUCQJUDPDVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-17-7-5-12(10-17)9-16-13-3-2-4-14(13)18-8-6-15-11-18/h5-8,10-11,13-14,16H,2-4,9H2,1H3.
What are the key properties of 2-imidazol-1-yl-N-[(1-methylpyrrol-3-yl)methyl]cyclopentan-1-amine?
2-imidazol-1-yl-N-[(1-methylpyrrol-3-yl)methyl]cyclopentan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[(1-methylpyrrol-3-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 66398331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).