N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine

C18H33NO — CID 103277914

IUPACN-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC1=CC(C)CC(C2OCCCC2CNC(C)(C)C)C1
InChIInChI=1S/C18H33NO/c1-13-9-14(2)11-16(10-13)17-15(7-6-8-20-17)12-19-18(3,4)5/h9,13,15-17,19H,6-8,10-12H2,1-5H3
InChIKeyWQXAOGSVBAKMDZ-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.16
Rot. Bonds3

About N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine

N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 103277914) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID103277914
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC NameN-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC1=CC(C)CC(C2OCCCC2CNC(C)(C)C)C1
InChIInChI=1S/C18H33NO/c1-13-9-14(2)11-16(10-13)17-15(7-6-8-20-17)12-19-18(3,4)5/h9,13,15-17,19H,6-8,10-12H2,1-5H3
InChIKeyWQXAOGSVBAKMDZ-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[4-(1,1-Difluoroethyl)cyclohexa-1,3-dien-1-yl]oxy-3-methyloctyl]piperidine
CID 177971127
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-[(5S)-4,5-dipropylcyclohex-3-en-1-yl]oxypiperidine
CID 68083442
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-[cyclohexen-1-yl(oxan-4-yl)methyl]propan-1-amine
CID 55133142
N-[cyclohexen-1-yl(oxan-3-yl)methyl]propan-1-amine
CID 55150507
N-[cyclohexen-1-yl(oxan-4-yl)methyl]ethanamine
CID 62907585
1-(cyclohexen-1-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63014165
N-[cyclohexen-1-yl(oxan-3-yl)methyl]ethanamine
CID 63014167

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine (CID 103277914) is N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine is CC1=CC(C)CC(C2OCCCC2CNC(C)(C)C)C1.
What is the InChIKey of N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is WQXAOGSVBAKMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-13-9-14(2)11-16(10-13)17-15(7-6-8-20-17)12-19-18(3,4)5/h9,13,15-17,19H,6-8,10-12H2,1-5H3.
What are the key properties of N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 279.47 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103277914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).