N-[cyclohexen-1-yl-(1-ethoxycyclohexyl)methyl]propan-1-amine

C18H33NO — CID 106654605

IUPACN-[cyclohexen-1-yl-(1-ethoxycyclohexyl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCC1)C1(OCC)CCCCC1
InChIInChI=1S/C18H33NO/c1-3-15-19-17(16-11-7-5-8-12-16)18(20-4-2)13-9-6-10-14-18/h11,17,19H,3-10,12-15H2,1-2H3
InChIKeyWGUXTZMPFKOEJV-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.59
Rot. Bonds7

About N-[cyclohexen-1-yl-(1-ethoxycyclohexyl)methyl]propan-1-amine

N-[cyclohexen-1-yl-(1-ethoxycyclohexyl)methyl]propan-1-amine (PubChem CID 106654605) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is N-[cyclohexen-1-yl-(1-ethoxycyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohexen-1-yl-(1-ethoxycyclohexyl)methyl]propan-1-amine
PubChem CID106654605
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC NameN-[cyclohexen-1-yl-(1-ethoxycyclohexyl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCC1)C1(OCC)CCCCC1
InChIInChI=1S/C18H33NO/c1-3-15-19-17(16-11-7-5-8-12-16)18(20-4-2)13-9-6-10-14-18/h11,17,19H,3-10,12-15H2,1-2H3
InChIKeyWGUXTZMPFKOEJV-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
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

1-[cyclohepten-1-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 106653712
N-[cyclohexen-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 106654677
N-[(1-ethoxycyclohexyl)-phenylmethyl]propan-1-amine
CID 116764179
1-(cyclohexen-1-yl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 106654643
N-[(4-chlorophenyl)-(1-ethoxycyclohexyl)methyl]propan-1-amine
CID 116764229
N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
CID 116766056
1-(cyclohepten-1-yl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 106654657
N-[(1-ethoxycyclohexyl)-(2-methylphenyl)methyl]propan-1-amine
CID 116764251
N-[(1-ethoxycyclohexyl)-(furan-3-yl)methyl]propan-1-amine
CID 116764210
N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 116762445
N-[(2,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine
CID 116762398
N-[3,4-dihydro-2H-pyran-6-yl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
CID 102648125

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexen-1-yl-(1-ethoxycyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[cyclohexen-1-yl-(1-ethoxycyclohexyl)methyl]propan-1-amine (CID 106654605) is N-[cyclohexen-1-yl-(1-ethoxycyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohexen-1-yl-(1-ethoxycyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclohexen-1-yl-(1-ethoxycyclohexyl)methyl]propan-1-amine is CCCNC(C1=CCCCC1)C1(OCC)CCCCC1.
What is the InChIKey of N-[cyclohexen-1-yl-(1-ethoxycyclohexyl)methyl]propan-1-amine?
The InChIKey is WGUXTZMPFKOEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-3-15-19-17(16-11-7-5-8-12-16)18(20-4-2)13-9-6-10-14-18/h11,17,19H,3-10,12-15H2,1-2H3.
What are the key properties of N-[cyclohexen-1-yl-(1-ethoxycyclohexyl)methyl]propan-1-amine?
N-[cyclohexen-1-yl-(1-ethoxycyclohexyl)methyl]propan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexen-1-yl-(1-ethoxycyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 106654605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).