N-[(3-ethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine

C19H37NO — CID 116766696

IUPACN-[(3-ethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(C1CCCC(CC)C1)C1(OC)CCC(C)CC1
InChIInChI=1S/C19H37NO/c1-5-16-8-7-9-17(14-16)18(20-6-2)19(21-4)12-10-15(3)11-13-19/h15-18,20H,5-14H2,1-4H3
InChIKeyBHOPTLOQRUCBSX-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.78
Rot. Bonds6

About N-[(3-ethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine

N-[(3-ethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine (PubChem CID 116766696) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is N-[(3-ethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine
PubChem CID116766696
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC NameN-[(3-ethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(C1CCCC(CC)C1)C1(OC)CCC(C)CC1
InChIInChI=1S/C19H37NO/c1-5-16-8-7-9-17(14-16)18(20-6-2)19(21-4)12-10-15(3)11-13-19/h15-18,20H,5-14H2,1-4H3
InChIKeyBHOPTLOQRUCBSX-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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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(3-ethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine (CID 116766696) is N-[(3-ethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-ethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(3-ethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine is CCNC(C1CCCC(CC)C1)C1(OC)CCC(C)CC1.
What is the InChIKey of N-[(3-ethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine?
The InChIKey is BHOPTLOQRUCBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-5-16-8-7-9-17(14-16)18(20-6-2)19(21-4)12-10-15(3)11-13-19/h15-18,20H,5-14H2,1-4H3.
What are the key properties of N-[(3-ethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine?
N-[(3-ethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)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-ethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 116766696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).