1-butyl-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]imidazol-2-amine

C18H33N3 — CID 106578131

IUPAC1-butyl-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]imidazol-2-amine
SMILESCCCCn1cc(C)nc1NCC1(CC(C)C)CCCC1
InChIInChI=1S/C18H33N3/c1-5-6-11-21-13-16(4)20-17(21)19-14-18(12-15(2)3)9-7-8-10-18/h13,15H,5-12,14H2,1-4H3,(H,19,20)
InChIKeyAKCOQPIHNWYPJK-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.01
Rot. Bonds8

About 1-butyl-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]imidazol-2-amine

1-butyl-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]imidazol-2-amine (PubChem CID 106578131) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-butyl-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]imidazol-2-amine.

Molecular Properties

Compound Name1-butyl-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]imidazol-2-amine
PubChem CID106578131
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name1-butyl-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]imidazol-2-amine
SMILESCCCCn1cc(C)nc1NCC1(CC(C)C)CCCC1
InChIInChI=1S/C18H33N3/c1-5-6-11-21-13-16(4)20-17(21)19-14-18(12-15(2)3)9-7-8-10-18/h13,15H,5-12,14H2,1-4H3,(H,19,20)
InChIKeyAKCOQPIHNWYPJK-UHFFFAOYSA-N
XLogP5.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-4-methyl-N-octylimidazol-2-amine
CID 106578853
1-butyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine
CID 106582355
1-butyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine
CID 106581481
N-butyl-4-methyl-1-(3-methylbutyl)imidazol-2-amine
CID 106557291
1-decyl-N-ethyl-4-methylimidazol-2-amine
CID 106578047
1-butyl-N-heptan-2-yl-4-methylimidazol-2-amine
CID 106568860
4-methyl-1-(3-methylbutyl)-N-propylimidazol-2-amine
CID 106557292
1-butyl-4-methyl-N-(3,3,3-trifluoropropyl)imidazol-2-amine
CID 106571611
1-butyl-N-(2,2-dimethylcyclopropyl)-4-methylimidazol-2-amine
CID 106564722
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106583088
N-butyl-1-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylimidazol-2-amine
CID 106579428
1-methyl-3-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrazole-3,4-diamine
CID 103078708

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]imidazol-2-amine?
The IUPAC name of 1-butyl-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]imidazol-2-amine (CID 106578131) is 1-butyl-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]imidazol-2-amine.
What is the SMILES notation for 1-butyl-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]imidazol-2-amine?
The canonical SMILES for 1-butyl-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]imidazol-2-amine is CCCCn1cc(C)nc1NCC1(CC(C)C)CCCC1.
What is the InChIKey of 1-butyl-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]imidazol-2-amine?
The InChIKey is AKCOQPIHNWYPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-5-6-11-21-13-16(4)20-17(21)19-14-18(12-15(2)3)9-7-8-10-18/h13,15H,5-12,14H2,1-4H3,(H,19,20).
What are the key properties of 1-butyl-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]imidazol-2-amine?
1-butyl-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]imidazol-2-amine has a molecular weight of 291.48 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]imidazol-2-amine is sourced from PubChem (CID 106578131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).