4-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1,4-diamine

C14H19N3O — CID 79724752

IUPAC4-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1,4-diamine
SMILESCc1nc2cc(NC3CCC(N)CC3)ccc2o1
InChIInChI=1S/C14H19N3O/c1-9-16-13-8-12(6-7-14(13)18-9)17-11-4-2-10(15)3-5-11/h6-8,10-11,17H,2-5,15H2,1H3
InChIKeyGWDOGDLALJYFOJ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.82
Rot. Bonds2

About 4-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1,4-diamine

4-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1,4-diamine (PubChem CID 79724752) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1,4-diamine
PubChem CID79724752
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1,4-diamine
SMILESCc1nc2cc(NC3CCC(N)CC3)ccc2o1
InChIInChI=1S/C14H19N3O/c1-9-16-13-8-12(6-7-14(13)18-9)17-11-4-2-10(15)3-5-11/h6-8,10-11,17H,2-5,15H2,1H3
InChIKeyGWDOGDLALJYFOJ-UHFFFAOYSA-N
XLogP2.82
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
N-cyclopropyl-2-methyl-1,3-benzoxazol-6-amine
CID 83483514
2-methyl-N-(thiolan-3-yl)-1,3-benzoxazol-5-amine
CID 43205250
2-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,3-benzoxazol-5-amine
CID 107427997
N-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 103439136
N-(2-methoxycyclohexyl)-2-methyl-1,3-benzoxazol-5-amine
CID 43769788
4-N-quinoxalin-6-ylcyclohexane-1,4-diamine
CID 79731132
N-ethyl-2-methyl-1,3-benzoxazol-5-amine
CID 28676121
1-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2,3-dihydro-1H-inden-4-ol
CID 43637082
N-cyclooctyl-2-cyclopropyl-1,3-benzoxazol-5-amine
CID 43686416

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1,4-diamine (CID 79724752) is 4-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1,4-diamine is Cc1nc2cc(NC3CCC(N)CC3)ccc2o1.
What is the InChIKey of 4-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1,4-diamine?
The InChIKey is GWDOGDLALJYFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9-16-13-8-12(6-7-14(13)18-9)17-11-4-2-10(15)3-5-11/h6-8,10-11,17H,2-5,15H2,1H3.
What are the key properties of 4-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1,4-diamine?
4-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1,4-diamine has a molecular weight of 245.33 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79724752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).