1-(cyclohexen-1-yl)-2-cyclohexyl-2-methoxy-N-methylethanamine

C16H29NO — CID 106654700

IUPAC1-(cyclohexen-1-yl)-2-cyclohexyl-2-methoxy-N-methylethanamine
SMILESCNC(C1=CCCCC1)C(OC)C1CCCCC1
InChIInChI=1S/C16H29NO/c1-17-15(13-9-5-3-6-10-13)16(18-2)14-11-7-4-8-12-14/h9,14-17H,3-8,10-12H2,1-2H3
InChIKeyKWNIIKIIHMYTRV-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.67
Rot. Bonds5

About 1-(cyclohexen-1-yl)-2-cyclohexyl-2-methoxy-N-methylethanamine

1-(cyclohexen-1-yl)-2-cyclohexyl-2-methoxy-N-methylethanamine (PubChem CID 106654700) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-cyclohexyl-2-methoxy-N-methylethanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-cyclohexyl-2-methoxy-N-methylethanamine
PubChem CID106654700
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name1-(cyclohexen-1-yl)-2-cyclohexyl-2-methoxy-N-methylethanamine
SMILESCNC(C1=CCCCC1)C(OC)C1CCCCC1
InChIInChI=1S/C16H29NO/c1-17-15(13-9-5-3-6-10-13)16(18-2)14-11-7-4-8-12-14/h9,14-17H,3-8,10-12H2,1-2H3
InChIKeyKWNIIKIIHMYTRV-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.67
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

6-(2-Fluorocyclohexa-2,4-dien-1-yl)-2-hepta-3,5-dien-3-yl-8-methoxy-4-methyl-1,2,3,7,8,8a-hexahydroquinoline
CID 123251304
N-[3,4-dihydro-2H-pyran-6-yl-[4-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 102648887
2-methoxy-N-methyl-1-[(1S)-6-methylcyclohex-2-en-1-yl]cyclohexan-1-amine
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3-cyclopenta-2,4-dien-1-yl-6-methoxy-N-methylcyclohex-2-en-1-amine
CID 141424891
butane;3-(2-cyclohex-3-en-1-yl-8-methylnon-4-en-4-yl)cyclohexene;2-heptoxy-N-methylhexan-1-amine;propane
CID 142833943
ethane;(4E,6S)-N,6,7-trimethyl-1-propoxy-4-propylideneoctan-2-amine
CID 142984267
N-ethyl-8-methoxy-7-methyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-amine
CID 163962157
N-[cyclohexen-1-yl(oxan-2-yl)methyl]propan-1-amine
CID 55048190
N-(cyclohex-3-en-1-ylmethyl)-2-methoxycyclohexan-1-amine
CID 61951497
1-(cyclohexen-1-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 62212633
N-[cyclohexen-1-yl(oxan-2-yl)methyl]ethanamine
CID 62212634
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CID 62212813

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-cyclohexyl-2-methoxy-N-methylethanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-2-cyclohexyl-2-methoxy-N-methylethanamine (CID 106654700) is 1-(cyclohexen-1-yl)-2-cyclohexyl-2-methoxy-N-methylethanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-cyclohexyl-2-methoxy-N-methylethanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-cyclohexyl-2-methoxy-N-methylethanamine is CNC(C1=CCCCC1)C(OC)C1CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-cyclohexyl-2-methoxy-N-methylethanamine?
The InChIKey is KWNIIKIIHMYTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-17-15(13-9-5-3-6-10-13)16(18-2)14-11-7-4-8-12-14/h9,14-17H,3-8,10-12H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)-2-cyclohexyl-2-methoxy-N-methylethanamine?
1-(cyclohexen-1-yl)-2-cyclohexyl-2-methoxy-N-methylethanamine has a molecular weight of 251.41 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2-cyclohexyl-2-methoxy-N-methylethanamine is sourced from PubChem (CID 106654700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).