3-cyclohexyloxy-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine

C18H33NO — CID 103276137

IUPAC3-cyclohexyloxy-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine
SMILESCC1=CC(C)CC(CNCCCOC2CCCCC2)C1
InChIInChI=1S/C18H33NO/c1-15-11-16(2)13-17(12-15)14-19-9-6-10-20-18-7-4-3-5-8-18/h11,15,17-19H,3-10,12-14H2,1-2H3
InChIKeySVGDUXDLGPDUAY-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.31
Rot. Bonds7

About 3-cyclohexyloxy-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine

3-cyclohexyloxy-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine (PubChem CID 103276137) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 3-cyclohexyloxy-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyloxy-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine
PubChem CID103276137
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name3-cyclohexyloxy-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine
SMILESCC1=CC(C)CC(CNCCCOC2CCCCC2)C1
InChIInChI=1S/C18H33NO/c1-15-11-16(2)13-17(12-15)14-19-9-6-10-20-18-7-4-3-5-8-18/h11,15,17-19H,3-10,12-14H2,1-2H3
InChIKeySVGDUXDLGPDUAY-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.31
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'}

Analyze 3-cyclohexyloxy-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine with MolForge

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Related Compounds

12-(1-Cyclohexylprop-1-en-2-yl)-13,19,21,27-tetramethyl-11,28-dioxa-4-azabicyclo[22.3.1]octacos-18-ene
CID 66657245
4-[(4R)-4-methylcyclohexen-1-yl]oxypiperidine
CID 68082956
4-[(5S)-4,5-dipropylcyclohex-3-en-1-yl]oxypiperidine
CID 68083442
(1S)-1-[4-(butylaminomethyl)cyclohexyl]-3-(5-ethylcyclohexen-1-yl)propan-1-ol
CID 70325306
butane;3-(2-cyclohex-3-en-1-yl-8-methylnon-4-en-4-yl)cyclohexene;2-heptoxy-N-methylhexan-1-amine;propane
CID 142833943
(2E)-N-[3-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]propyl]-3,7-dimethylocta-2,6-dien-1-amine
CID 144804929
4-[(2S)-1-(4-propan-2-yl-3,6-dihydro-2H-pyran-2-yl)propan-2-yl]-1,2,3,6-tetrahydropyridine
CID 156075396
2-(cyclohexen-1-yl)-N-[(4-methoxycyclohexyl)methyl]ethanamine
CID 156624727
(Z,3S)-N-methyl-3-[(6S)-6-methyloctan-4-yl]oxy-7-[(3S,4S)-3-methylpiperidin-4-yl]non-7-en-1-amine
CID 163970162
N-[3-(2-ethylhexoxy)propyl]-1-(4-methoxycyclohexa-1,3-dien-1-yl)-2-methylpropan-2-amine
CID 164065193
ethane;4-[(1R,3S,4E)-1-methyl-3-(3-methylbutyl)cyclooct-4-en-1-yl]oxypiperidine
CID 178830551
N-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyloxypropan-1-amine
CID 43081150

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxy-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine?
The IUPAC name of 3-cyclohexyloxy-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine (CID 103276137) is 3-cyclohexyloxy-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-cyclohexyloxy-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine?
The canonical SMILES for 3-cyclohexyloxy-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine is CC1=CC(C)CC(CNCCCOC2CCCCC2)C1.
What is the InChIKey of 3-cyclohexyloxy-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine?
The InChIKey is SVGDUXDLGPDUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-15-11-16(2)13-17(12-15)14-19-9-6-10-20-18-7-4-3-5-8-18/h11,15,17-19H,3-10,12-14H2,1-2H3.
What are the key properties of 3-cyclohexyloxy-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine?
3-cyclohexyloxy-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine is sourced from PubChem (CID 103276137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).