N-[cyclohexyl-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]ethanamine

C19H37NO — CID 116768830

IUPACN-[cyclohexyl-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
SMILESCCNC(C1CCCCC1)C1(OCC)CCC(C)(C)CC1
InChIInChI=1S/C19H37NO/c1-5-20-17(16-10-8-7-9-11-16)19(21-6-2)14-12-18(3,4)13-15-19/h16-17,20H,5-15H2,1-4H3
InChIKeyLEZMWIASQPTCCW-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.92
Rot. Bonds6

About N-[cyclohexyl-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]ethanamine

N-[cyclohexyl-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]ethanamine (PubChem CID 116768830) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is N-[cyclohexyl-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclohexyl-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
PubChem CID116768830
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC NameN-[cyclohexyl-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
SMILESCCNC(C1CCCCC1)C1(OCC)CCC(C)(C)CC1
InChIInChI=1S/C19H37NO/c1-5-20-17(16-10-8-7-9-11-16)19(21-6-2)14-12-18(3,4)13-15-19/h16-17,20H,5-15H2,1-4H3
InChIKeyLEZMWIASQPTCCW-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclohexyl-(4-ethoxyoxan-4-yl)methyl]ethanamine
CID 116765789
N-[(1-ethoxy-4,4-dimethylcyclohexyl)-(oxan-4-yl)methyl]ethanamine
CID 116768886
N-[cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
CID 116768449
N-[cyclohexyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
CID 116768366
N-[cyclopropyl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine
CID 116767361
N-[cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116769652
2-cyclohexyl-1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methylethanamine
CID 116768788
N-[(3,4-dimethylcyclohexyl)-(1-ethoxycyclohexyl)methyl]ethanamine
CID 116764131
2-cyclohexyl-1-(1-ethoxycyclohexyl)-N-ethylethanamine
CID 116764108
N-[cyclobutyl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
CID 116766050
1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 107136933
[cyclopropyl-(1-ethoxycyclohexyl)methyl]hydrazine
CID 105276206

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[cyclohexyl-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]ethanamine (CID 116768830) is N-[cyclohexyl-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[cyclohexyl-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[cyclohexyl-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]ethanamine is CCNC(C1CCCCC1)C1(OCC)CCC(C)(C)CC1.
What is the InChIKey of N-[cyclohexyl-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]ethanamine?
The InChIKey is LEZMWIASQPTCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-5-20-17(16-10-8-7-9-11-16)19(21-6-2)14-12-18(3,4)13-15-19/h16-17,20H,5-15H2,1-4H3.
What are the key properties of N-[cyclohexyl-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]ethanamine?
N-[cyclohexyl-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]ethanamine has a molecular weight of 295.51 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 116768830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).