2,2-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-amine

C17H25N3 — CID 79864476

IUPAC2,2-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-amine
SMILESCc1nc2ccccc2n1CCNC1CCCC1(C)C
InChIInChI=1S/C17H25N3/c1-13-19-14-7-4-5-8-15(14)20(13)12-11-18-16-9-6-10-17(16,2)3/h4-5,7-8,16,18H,6,9-12H2,1-3H3
InChIKeyJVUQBAPWDHEYDT-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.51
Rot. Bonds4

About 2,2-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-amine

2,2-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-amine (PubChem CID 79864476) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-amine
PubChem CID79864476
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2,2-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-amine
SMILESCc1nc2ccccc2n1CCNC1CCCC1(C)C
InChIInChI=1S/C17H25N3/c1-13-19-14-7-4-5-8-15(14)20(13)12-11-18-16-9-6-10-17(16,2)3/h4-5,7-8,16,18H,6,9-12H2,1-3H3
InChIKeyJVUQBAPWDHEYDT-UHFFFAOYSA-N
XLogP3.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-3-amine
CID 62871960
1-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidin-4-amine
CID 28712904
N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-4-amine
CID 43394941
N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxepan-4-amine
CID 65076508
(3S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 28950125
1-benzyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine
CID 113222196
1,5-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine
CID 81302349
(3aR,6aS)-5-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine
CID 154806034
2-(2-methylbenzimidazol-1-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
CID 62654333
2-(2-methylbenzimidazol-1-yl)-N-(piperidin-4-ylmethyl)ethanamine
CID 79707187
N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 24554300
1-(aminomethyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-ol
CID 79587253

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-amine (CID 79864476) is 2,2-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-amine is Cc1nc2ccccc2n1CCNC1CCCC1(C)C.
What is the InChIKey of 2,2-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-amine?
The InChIKey is JVUQBAPWDHEYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-13-19-14-7-4-5-8-15(14)20(13)12-11-18-16-9-6-10-17(16,2)3/h4-5,7-8,16,18H,6,9-12H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-amine?
2,2-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 79864476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).