N-[[1-(cyclopentylmethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine

C14H25N3 — CID 55048482

IUPACN-[[1-(cyclopentylmethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nccn1CC1CCCC1
InChIInChI=1S/C14H25N3/c1-14(2,3)16-10-13-15-8-9-17(13)11-12-6-4-5-7-12/h8-9,12,16H,4-7,10-11H2,1-3H3
InChIKeyJNKUPDKJYBOWPN-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.96
Rot. Bonds4

About N-[[1-(cyclopentylmethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine

N-[[1-(cyclopentylmethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 55048482) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N-[[1-(cyclopentylmethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(cyclopentylmethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID55048482
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN-[[1-(cyclopentylmethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nccn1CC1CCCC1
InChIInChI=1S/C14H25N3/c1-14(2,3)16-10-13-15-8-9-17(13)11-12-6-4-5-7-12/h8-9,12,16H,4-7,10-11H2,1-3H3
InChIKeyJNKUPDKJYBOWPN-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(ethoxymethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65369489
1-(cyclopropylmethyl)-2-ethylimidazole
CID 63811309
1-(cyclobutylmethyl)-N-ethylimidazol-2-amine
CID 106561466
N-cyclohexyl-1-(cyclohexylmethyl)imidazol-2-amine
CID 106561648
2-methyl-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]imidazol-2-yl]methyl]propan-2-amine
CID 82891583
N-[[1-(2-ethoxyethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62222189
3-[1-(cyclohexylmethyl)imidazol-2-yl]propan-1-amine
CID 84687148
2-cyclohexyl-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 55064443
N-[[1-(3-ethylsulfonylpropyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65097886
N-[[1-(2-cyclopentylethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine
CID 114191659
2-methyl-N-[[1-(4,4,4-trifluorobutyl)imidazol-2-yl]methyl]propan-2-amine
CID 113326667
N-[[1-[2-(diethylamino)ethyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62221842

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclopentylmethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(cyclopentylmethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine (CID 55048482) is N-[[1-(cyclopentylmethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(cyclopentylmethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(cyclopentylmethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1nccn1CC1CCCC1.
What is the InChIKey of N-[[1-(cyclopentylmethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is JNKUPDKJYBOWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-14(2,3)16-10-13-15-8-9-17(13)11-12-6-4-5-7-12/h8-9,12,16H,4-7,10-11H2,1-3H3.
What are the key properties of N-[[1-(cyclopentylmethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(cyclopentylmethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 235.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclopentylmethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 55048482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).