N-[[1-(2-methylpropyl)cyclobutyl]methyl]-1-(1,4,5-trimethylimidazol-2-yl)methanamine

C16H29N3 — CID 131902929

IUPACN-[[1-(2-methylpropyl)cyclobutyl]methyl]-1-(1,4,5-trimethylimidazol-2-yl)methanamine
SMILESCc1nc(CNCC2(CC(C)C)CCC2)n(C)c1C
InChIInChI=1S/C16H29N3/c1-12(2)9-16(7-6-8-16)11-17-10-15-18-13(3)14(4)19(15)5/h12,17H,6-11H2,1-5H3
InChIKeyKCXYPCNPCAFPLX-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.34
Rot. Bonds6

About N-[[1-(2-methylpropyl)cyclobutyl]methyl]-1-(1,4,5-trimethylimidazol-2-yl)methanamine

N-[[1-(2-methylpropyl)cyclobutyl]methyl]-1-(1,4,5-trimethylimidazol-2-yl)methanamine (PubChem CID 131902929) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[[1-(2-methylpropyl)cyclobutyl]methyl]-1-(1,4,5-trimethylimidazol-2-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(2-methylpropyl)cyclobutyl]methyl]-1-(1,4,5-trimethylimidazol-2-yl)methanamine
PubChem CID131902929
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[[1-(2-methylpropyl)cyclobutyl]methyl]-1-(1,4,5-trimethylimidazol-2-yl)methanamine
SMILESCc1nc(CNCC2(CC(C)C)CCC2)n(C)c1C
InChIInChI=1S/C16H29N3/c1-12(2)9-16(7-6-8-16)11-17-10-15-18-13(3)14(4)19(15)5/h12,17H,6-11H2,1-5H3
InChIKeyKCXYPCNPCAFPLX-UHFFFAOYSA-N
XLogP3.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-1-tert-butyl-3,3,5,5-tetramethylpyrrolidin-2-yl]-4,5-dimethyl-1-propan-2-ylimidazole
CID 168328106
2-[(2S)-1-tert-butyl-3,3,5,5-tetramethylpyrrolidin-2-yl]-1,4,5-trimethylimidazole
CID 168328113
1-(4,5-Dimethyl-2-undecylimidazol-1-yl)propan-1-amine
CID 20161909
4-[3-(2,4,5-Trimethylimidazol-1-yl)propyl]piperidine
CID 20239757
2-(2,3-Dimethylpentan-3-yl)-1,4,5-trimethylimidazole
CID 20677831
1-(4,4-Dimethylpentan-2-yl)-2,4,5-trimethylimidazole
CID 53956967
3-(4,5-Dimethyl-2-undecylimidazol-1-yl)propan-1-amine
CID 54102720
1-(4,4-Dimethylpentan-2-yl)-2,3,4,5-tetramethylimidazol-3-ium
CID 54362712
(3S)-3-[(2,4,5-trimethylimidazol-1-yl)methyl]piperidine
CID 59880776
(3R)-3-[(2,4,5-trimethylimidazol-1-yl)methyl]piperidine
CID 59880779
2-(2-Cyclohexyl-4,5-dimethylimidazol-1-yl)acetonitrile
CID 66791703
4-(1,4,5-Trimethyl-1H-imidazol-2-yl)piperidine
CID 82463370

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropyl)cyclobutyl]methyl]-1-(1,4,5-trimethylimidazol-2-yl)methanamine?
The IUPAC name of N-[[1-(2-methylpropyl)cyclobutyl]methyl]-1-(1,4,5-trimethylimidazol-2-yl)methanamine (CID 131902929) is N-[[1-(2-methylpropyl)cyclobutyl]methyl]-1-(1,4,5-trimethylimidazol-2-yl)methanamine.
What is the SMILES notation for N-[[1-(2-methylpropyl)cyclobutyl]methyl]-1-(1,4,5-trimethylimidazol-2-yl)methanamine?
The canonical SMILES for N-[[1-(2-methylpropyl)cyclobutyl]methyl]-1-(1,4,5-trimethylimidazol-2-yl)methanamine is Cc1nc(CNCC2(CC(C)C)CCC2)n(C)c1C.
What is the InChIKey of N-[[1-(2-methylpropyl)cyclobutyl]methyl]-1-(1,4,5-trimethylimidazol-2-yl)methanamine?
The InChIKey is KCXYPCNPCAFPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-12(2)9-16(7-6-8-16)11-17-10-15-18-13(3)14(4)19(15)5/h12,17H,6-11H2,1-5H3.
What are the key properties of N-[[1-(2-methylpropyl)cyclobutyl]methyl]-1-(1,4,5-trimethylimidazol-2-yl)methanamine?
N-[[1-(2-methylpropyl)cyclobutyl]methyl]-1-(1,4,5-trimethylimidazol-2-yl)methanamine has a molecular weight of 263.43 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropyl)cyclobutyl]methyl]-1-(1,4,5-trimethylimidazol-2-yl)methanamine is sourced from PubChem (CID 131902929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).