N-[(1-methylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine

C13H23N3 — CID 63821869

IUPACN-[(1-methylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine
SMILESCc1nccn1CCNCC1(C)CCCC1
InChIInChI=1S/C13H23N3/c1-12-15-8-10-16(12)9-7-14-11-13(2)5-3-4-6-13/h8,10,14H,3-7,9,11H2,1-2H3
InChIKeyNFSIIFDDZSANQM-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.36
Rot. Bonds5

About N-[(1-methylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine

N-[(1-methylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine (PubChem CID 63821869) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[(1-methylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-methylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine
PubChem CID63821869
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[(1-methylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine
SMILESCc1nccn1CCNCC1(C)CCCC1
InChIInChI=1S/C13H23N3/c1-12-15-8-10-16(12)9-7-14-11-13(2)5-3-4-6-13/h8,10,14H,3-7,9,11H2,1-2H3
InChIKeyNFSIIFDDZSANQM-UHFFFAOYSA-N
XLogP2.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-ethylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine
CID 114125143
2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexan-1-amine
CID 79871377
[1-[2-(2-methylimidazol-1-yl)ethylamino]cyclohexyl]methanol
CID 55082128
N-methyl-1-[3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 106318634
2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
CID 61493565
1-amino-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexane-1-carboxamide
CID 119869306
N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
CID 61492853
5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
CID 107319925
3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-ylbutan-1-amine
CID 102905476
3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-ol
CID 115874156
N-[(1-methylcyclopentyl)methyl]-1-propylimidazol-2-amine
CID 106572272
6-iodo-N-[2-(2-methylimidazol-1-yl)ethyl]hexan-1-amine
CID 107844722

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine?
The IUPAC name of N-[(1-methylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine (CID 63821869) is N-[(1-methylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine.
What is the SMILES notation for N-[(1-methylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine?
The canonical SMILES for N-[(1-methylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine is Cc1nccn1CCNCC1(C)CCCC1.
What is the InChIKey of N-[(1-methylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine?
The InChIKey is NFSIIFDDZSANQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-12-15-8-10-16(12)9-7-14-11-13(2)5-3-4-6-13/h8,10,14H,3-7,9,11H2,1-2H3.
What are the key properties of N-[(1-methylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine?
N-[(1-methylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine has a molecular weight of 221.35 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine is sourced from PubChem (CID 63821869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).