2-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,3-benzoxazol-5-amine

C18H26N2O — CID 107427997

IUPAC2-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,3-benzoxazol-5-amine
SMILESCc1nc2cc(NC3CCCC(CC(C)C)C3)ccc2o1
InChIInChI=1S/C18H26N2O/c1-12(2)9-14-5-4-6-15(10-14)20-16-7-8-18-17(11-16)19-13(3)21-18/h7-8,11-12,14-15,20H,4-6,9-10H2,1-3H3
InChIKeyJNSCZYAHFHOUGY-UHFFFAOYSA-N
MW286.42 g/mol
LogP5.15
Rot. Bonds4

About 2-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,3-benzoxazol-5-amine

2-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,3-benzoxazol-5-amine (PubChem CID 107427997) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,3-benzoxazol-5-amine
PubChem CID107427997
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,3-benzoxazol-5-amine
SMILESCc1nc2cc(NC3CCCC(CC(C)C)C3)ccc2o1
InChIInChI=1S/C18H26N2O/c1-12(2)9-14-5-4-6-15(10-14)20-16-7-8-18-17(11-16)19-13(3)21-18/h7-8,11-12,14-15,20H,4-6,9-10H2,1-3H3
InChIKeyJNSCZYAHFHOUGY-UHFFFAOYSA-N
XLogP5.15
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-methyl-1,3-benzoxazol-5-amine
CID 28675875
2-methyl-N-(3-methylcyclopentyl)-1,3-benzoxazol-5-amine
CID 64500181
N-(3,4-dimethylcyclohexyl)-2-methyl-1,3-benzoxazol-5-amine
CID 64732967
4-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1,4-diamine
CID 79724752
2-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]phenol
CID 107700309
2-ethyl-N-(3-propan-2-ylcyclohexyl)-1,3-benzoxazol-5-amine
CID 107448361
2-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-4-amine
CID 107428685
4-[[3-(2-methylpropyl)cyclohexyl]amino]benzene-1,2-dicarbonitrile
CID 107788377
2-methyl-N-(thiolan-3-yl)-1,3-benzoxazol-5-amine
CID 43205250
3,5-difluoro-N-[3-(2-methylpropyl)cyclohexyl]aniline
CID 107427934
4-fluoro-3-methoxy-N-[3-(2-methylpropyl)cyclohexyl]aniline
CID 107428829
N-(3-methoxycyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 106871912

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,3-benzoxazol-5-amine?
The IUPAC name of 2-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,3-benzoxazol-5-amine (CID 107427997) is 2-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,3-benzoxazol-5-amine is Cc1nc2cc(NC3CCCC(CC(C)C)C3)ccc2o1.
What is the InChIKey of 2-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,3-benzoxazol-5-amine?
The InChIKey is JNSCZYAHFHOUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-12(2)9-14-5-4-6-15(10-14)20-16-7-8-18-17(11-16)19-13(3)21-18/h7-8,11-12,14-15,20H,4-6,9-10H2,1-3H3.
What are the key properties of 2-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,3-benzoxazol-5-amine?
2-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,3-benzoxazol-5-amine has a molecular weight of 286.42 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,3-benzoxazol-5-amine is sourced from PubChem (CID 107427997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).