1-(cyclohexen-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine

C16H31NO — CID 103036049

IUPAC1-(cyclohexen-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine
SMILESCCNC(CCC(C)(C)OC)CC1=CCCCC1
InChIInChI=1S/C16H31NO/c1-5-17-15(11-12-16(2,3)18-4)13-14-9-7-6-8-10-14/h9,15,17H,5-8,10-13H2,1-4H3
InChIKeyBDBQLZCZCHHJTA-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.06
Rot. Bonds8

About 1-(cyclohexen-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine

1-(cyclohexen-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine (PubChem CID 103036049) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine
PubChem CID103036049
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-(cyclohexen-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine
SMILESCCNC(CCC(C)(C)OC)CC1=CCCCC1
InChIInChI=1S/C16H31NO/c1-5-17-15(11-12-16(2,3)18-4)13-14-9-7-6-8-10-14/h9,15,17H,5-8,10-13H2,1-4H3
InChIKeyBDBQLZCZCHHJTA-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.06
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

N-ethyl-3-(2-methoxy-4,6-dimethylcyclohex-2-en-1-yl)butan-2-amine
CID 166864948
N-(7-methoxy-3,7-dimethyloct-2-enyl)cyclohexanamine
CID 173413041
N-butyl-7-methoxy-3,7-dimethyloct-2-en-1-amine
CID 173413382
N-[2-(cyclohexen-1-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
CID 43147114
N-[cyclohexen-1-yl(oxan-4-yl)methyl]propan-1-amine
CID 55133142
N-[cyclopenten-1-yl(oxan-4-yl)methyl]ethanamine
CID 62904966
N-[cyclopenten-1-yl(oxan-4-yl)methyl]propan-1-amine
CID 62904967
N-[cyclohexen-1-yl(oxan-4-yl)methyl]ethanamine
CID 62907585
1-(cyclohexen-1-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
CID 63953342
1-(cyclohexen-1-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine
CID 63953343
1-(cyclopenten-1-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine
CID 63953546
N-[2-(cyclohexen-1-yl)ethyl]-2-propan-2-yloxan-4-amine
CID 64097553

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine (CID 103036049) is 1-(cyclohexen-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine is CCNC(CCC(C)(C)OC)CC1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine?
The InChIKey is BDBQLZCZCHHJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-5-17-15(11-12-16(2,3)18-4)13-14-9-7-6-8-10-14/h9,15,17H,5-8,10-13H2,1-4H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine?
1-(cyclohexen-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine has a molecular weight of 253.43 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine is sourced from PubChem (CID 103036049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).