3-(1-benzylcycloheptyl)oxy-N,N-dimethylpropan-1-amine

C19H31NO — CID 2312

IUPAC3-(1-benzylcycloheptyl)oxy-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOC1(Cc2ccccc2)CCCCCC1
InChIInChI=1S/C19H31NO/c1-20(2)15-10-16-21-19(13-8-3-4-9-14-19)17-18-11-6-5-7-12-18/h5-7,11-12H,3-4,8-10,13-17H2,1-2H3
InChIKeyFYJJXENSONZJRG-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.29
Rot. Bonds7

About 3-(1-benzylcycloheptyl)oxy-N,N-dimethylpropan-1-amine

3-(1-benzylcycloheptyl)oxy-N,N-dimethylpropan-1-amine (PubChem CID 2312) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 3-(1-benzylcycloheptyl)oxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(1-benzylcycloheptyl)oxy-N,N-dimethylpropan-1-amine
PubChem CID2312
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name3-(1-benzylcycloheptyl)oxy-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOC1(Cc2ccccc2)CCCCCC1
InChIInChI=1S/C19H31NO/c1-20(2)15-10-16-21-19(13-8-3-4-9-14-19)17-18-11-6-5-7-12-18/h5-7,11-12H,3-4,8-10,13-17H2,1-2H3
InChIKeyFYJJXENSONZJRG-UHFFFAOYSA-N
XLogP4.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Triethylamine, 2-(phenethyloxy)-
CID 213755
Ethylamine, N,N-dimethyl-2-(phenethyloxy)-
CID 33467
Triethylamine, 1,1'-dimethyl-2''-(phenethyloxy)-
CID 213756
Propylamine, N,N-diethyl-3-(3-phenylpropoxy)-
CID 213812
Triethylamine, 2-((p-methylphenethyl)oxy)-
CID 213370
Propylamine, N,N-diethyl-3-(phenethyloxy)-
CID 213811
N,N-Diethyl-2-(2-phenylpropoxy)propan-1-amine
CID 213813
1-Oxaspiro(4.5)decane-3-methanamine, N,N-dimethyl-4-phenyl-, hydrochloride
CID 3061086
4-(Dimethylamino)-2-methyl-1-phenylbutan-2-ol
CID 547325
3-[1-[(4-fluorophenyl)methyl]cycloheptyl]oxy-N,N-dimethylpropan-1-amine
CID 338242
(2R)-4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol
CID 672915
2-[2-(ethoxymethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]-N,N-dimethylethanamine
CID 44325988

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylcycloheptyl)oxy-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(1-benzylcycloheptyl)oxy-N,N-dimethylpropan-1-amine (CID 2312) is 3-(1-benzylcycloheptyl)oxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(1-benzylcycloheptyl)oxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(1-benzylcycloheptyl)oxy-N,N-dimethylpropan-1-amine is CN(C)CCCOC1(Cc2ccccc2)CCCCCC1.
What is the InChIKey of 3-(1-benzylcycloheptyl)oxy-N,N-dimethylpropan-1-amine?
The InChIKey is FYJJXENSONZJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-20(2)15-10-16-21-19(13-8-3-4-9-14-19)17-18-11-6-5-7-12-18/h5-7,11-12H,3-4,8-10,13-17H2,1-2H3.
What are the key properties of 3-(1-benzylcycloheptyl)oxy-N,N-dimethylpropan-1-amine?
3-(1-benzylcycloheptyl)oxy-N,N-dimethylpropan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylcycloheptyl)oxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 2312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).