N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2-methylpropoxy)ethanamine

C15H29NO — CID 103277136

IUPACN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2-methylpropoxy)ethanamine
SMILESCC1=CC(C)CC(CNCCOCC(C)C)C1
InChIInChI=1S/C15H29NO/c1-12(2)11-17-6-5-16-10-15-8-13(3)7-14(4)9-15/h7,12-13,15-16H,5-6,8-11H2,1-4H3
InChIKeyZEJDCPNVMAATCA-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.24
Rot. Bonds7

About N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2-methylpropoxy)ethanamine

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2-methylpropoxy)ethanamine (PubChem CID 103277136) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2-methylpropoxy)ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2-methylpropoxy)ethanamine
PubChem CID103277136
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2-methylpropoxy)ethanamine
SMILESCC1=CC(C)CC(CNCCOCC(C)C)C1
InChIInChI=1S/C15H29NO/c1-12(2)11-17-6-5-16-10-15-8-13(3)7-14(4)9-15/h7,12-13,15-16H,5-6,8-11H2,1-4H3
InChIKeyZEJDCPNVMAATCA-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butylamino]ethanol
CID 46193852
[(Cyclohex-3-en-1-yl)methyl](2-methoxyethyl)amine
CID 43180514
N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 75443988
N-(cyclohex-3-en-1-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 60733607
N-(cyclohex-3-en-1-ylmethyl)-2-(2,2-difluoroethoxy)ethanamine
CID 103081284
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103276798
2-(2,2-difluoroethoxy)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]ethanamine
CID 105906033
2-(2,4-Dimethyl-cyclohex-3-enyl)-oxazolidine
CID 21947121
N-(cyclohexen-1-ylmethyl)-2-methoxyethanamine
CID 89520652
7-ethyl-N-(2-methoxyethyl)bicyclo[3.3.1]non-6-en-2-amine
CID 122499367
N-(3-methoxypropyl)-1,4-dimethylcyclohex-3-en-1-amine
CID 123329771
(E)-3-cyclohexyl-N-(2-methoxyethyl)prop-2-en-1-amine
CID 138563747

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2-methylpropoxy)ethanamine?
The IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2-methylpropoxy)ethanamine (CID 103277136) is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2-methylpropoxy)ethanamine.
What is the SMILES notation for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2-methylpropoxy)ethanamine?
The canonical SMILES for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2-methylpropoxy)ethanamine is CC1=CC(C)CC(CNCCOCC(C)C)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2-methylpropoxy)ethanamine?
The InChIKey is ZEJDCPNVMAATCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12(2)11-17-6-5-16-10-15-8-13(3)7-14(4)9-15/h7,12-13,15-16H,5-6,8-11H2,1-4H3.
What are the key properties of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2-methylpropoxy)ethanamine?
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2-methylpropoxy)ethanamine has a molecular weight of 239.40 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2-methylpropoxy)ethanamine is sourced from PubChem (CID 103277136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).