N,3-dimethyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclohexan-1-amine

C16H29N3O — CID 62429692

IUPACN,3-dimethyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclohexan-1-amine
SMILESCCCNCc1cc(CN(C)C2CCCC(C)C2)on1
InChIInChI=1S/C16H29N3O/c1-4-8-17-11-14-10-16(20-18-14)12-19(3)15-7-5-6-13(2)9-15/h10,13,15,17H,4-9,11-12H2,1-3H3
InChIKeyXLVUXIRQROWYSS-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.18
Rot. Bonds7

About N,3-dimethyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclohexan-1-amine

N,3-dimethyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclohexan-1-amine (PubChem CID 62429692) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N,3-dimethyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclohexan-1-amine
PubChem CID62429692
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN,3-dimethyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclohexan-1-amine
SMILESCCCNCc1cc(CN(C)C2CCCC(C)C2)on1
InChIInChI=1S/C16H29N3O/c1-4-8-17-11-14-10-16(20-18-14)12-19(3)15-7-5-6-13(2)9-15/h10,13,15,17H,4-9,11-12H2,1-3H3
InChIKeyXLVUXIRQROWYSS-UHFFFAOYSA-N
XLogP3.18
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,3-dimethyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexan-1-amine
CID 106906147
N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-methyloxan-4-amine
CID 55073850
N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62430126
N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]pentan-3-amine
CID 62431740
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 55073598
N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-N-methylcycloheptanamine
CID 62433873
N-methyl-N-[2-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]ethyl]cyclopropanamine
CID 102740938
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N,4-dimethylcyclohexan-1-amine
CID 62411963
N,4-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclohexan-1-amine
CID 62412493
N,1-dimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]piperidin-3-amine
CID 62547704
N-methyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexanamine
CID 106905570
3-fluoro-N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline
CID 62461087

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclohexan-1-amine?
The IUPAC name of N,3-dimethyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclohexan-1-amine (CID 62429692) is N,3-dimethyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for N,3-dimethyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for N,3-dimethyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclohexan-1-amine is CCCNCc1cc(CN(C)C2CCCC(C)C2)on1.
What is the InChIKey of N,3-dimethyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclohexan-1-amine?
The InChIKey is XLVUXIRQROWYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-8-17-11-14-10-16(20-18-14)12-19(3)15-7-5-6-13(2)9-15/h10,13,15,17H,4-9,11-12H2,1-3H3.
What are the key properties of N,3-dimethyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclohexan-1-amine?
N,3-dimethyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclohexan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 62429692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).