N-[(3,4-dimethylcyclohexyl)-(1-ethoxycyclohexyl)methyl]ethanamine

C19H37NO — CID 116764131

IUPACN-[(3,4-dimethylcyclohexyl)-(1-ethoxycyclohexyl)methyl]ethanamine
SMILESCCNC(C1CCC(C)C(C)C1)C1(OCC)CCCCC1
InChIInChI=1S/C19H37NO/c1-5-20-18(17-11-10-15(3)16(4)14-17)19(21-6-2)12-8-7-9-13-19/h15-18,20H,5-14H2,1-4H3
InChIKeyFDPYGLJWZFXKFT-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.78
Rot. Bonds6

About N-[(3,4-dimethylcyclohexyl)-(1-ethoxycyclohexyl)methyl]ethanamine

N-[(3,4-dimethylcyclohexyl)-(1-ethoxycyclohexyl)methyl]ethanamine (PubChem CID 116764131) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is N-[(3,4-dimethylcyclohexyl)-(1-ethoxycyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-dimethylcyclohexyl)-(1-ethoxycyclohexyl)methyl]ethanamine
PubChem CID116764131
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC NameN-[(3,4-dimethylcyclohexyl)-(1-ethoxycyclohexyl)methyl]ethanamine
SMILESCCNC(C1CCC(C)C(C)C1)C1(OCC)CCCCC1
InChIInChI=1S/C19H37NO/c1-5-20-18(17-11-10-15(3)16(4)14-17)19(21-6-2)12-8-7-9-13-19/h15-18,20H,5-14H2,1-4H3
InChIKeyFDPYGLJWZFXKFT-UHFFFAOYSA-N
XLogP4.78
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 ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3,4-dimethylcyclohexyl)-(1-ethoxycycloheptyl)methyl]hydrazine
CID 105278479
(3,4-dimethylcyclohexyl)-(1-ethoxycyclopentyl)methanamine
CID 116761764
N-[cyclopropyl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine
CID 116767361
[(3,4-dimethylcyclohexyl)-(1-ethoxy-4-methylcyclohexyl)methyl]hydrazine
CID 105277347
N-[cyclohexyl-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116768830
N-[cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
CID 116768449
N-[cyclohexyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
CID 116768366
N-[cyclohexyl-(4-ethoxyoxan-4-yl)methyl]ethanamine
CID 116765789
[cyclopropyl-(1-ethoxycyclohexyl)methyl]hydrazine
CID 105276206
1-(3,4-dimethylcyclohexyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine
CID 116770194
2-cyclohexyl-1-(1-ethoxycyclohexyl)-N-ethylethanamine
CID 116764108
1-(1-ethoxycycloheptyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 116770863

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylcyclohexyl)-(1-ethoxycyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(3,4-dimethylcyclohexyl)-(1-ethoxycyclohexyl)methyl]ethanamine (CID 116764131) is N-[(3,4-dimethylcyclohexyl)-(1-ethoxycyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,4-dimethylcyclohexyl)-(1-ethoxycyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(3,4-dimethylcyclohexyl)-(1-ethoxycyclohexyl)methyl]ethanamine is CCNC(C1CCC(C)C(C)C1)C1(OCC)CCCCC1.
What is the InChIKey of N-[(3,4-dimethylcyclohexyl)-(1-ethoxycyclohexyl)methyl]ethanamine?
The InChIKey is FDPYGLJWZFXKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-5-20-18(17-11-10-15(3)16(4)14-17)19(21-6-2)12-8-7-9-13-19/h15-18,20H,5-14H2,1-4H3.
What are the key properties of N-[(3,4-dimethylcyclohexyl)-(1-ethoxycyclohexyl)methyl]ethanamine?
N-[(3,4-dimethylcyclohexyl)-(1-ethoxycyclohexyl)methyl]ethanamine has a molecular weight of 295.51 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylcyclohexyl)-(1-ethoxycyclohexyl)methyl]ethanamine is sourced from PubChem (CID 116764131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).