2-[(3-ethoxypiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine

C18H36N2O — CID 62609685

IUPAC2-[(3-ethoxypiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1CN1CCCC(OCC)C1
InChIInChI=1S/C18H36N2O/c1-4-10-19-18-9-8-15(3)12-16(18)13-20-11-6-7-17(14-20)21-5-2/h15-19H,4-14H2,1-3H3
InChIKeyPOLULPLVMRNOSB-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.29
Rot. Bonds7

About 2-[(3-ethoxypiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine

2-[(3-ethoxypiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine (PubChem CID 62609685) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 2-[(3-ethoxypiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3-ethoxypiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
PubChem CID62609685
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name2-[(3-ethoxypiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1CN1CCCC(OCC)C1
InChIInChI=1S/C18H36N2O/c1-4-10-19-18-9-8-15(3)12-16(18)13-20-11-6-7-17(14-20)21-5-2/h15-19H,4-14H2,1-3H3
InChIKeyPOLULPLVMRNOSB-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-(piperidin-1-ylmethyl)-N-propylcyclohexan-1-amine
CID 62614642
2-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63635303
2-[(4-methoxypiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 62615391
2-[(4,4-dimethylpiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63495442
2-[(4-cyclopropylpiperazin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 62609331
4-methyl-2-[(3-propoxypiperidin-1-yl)methyl]cyclohexan-1-ol
CID 55094581
2-(azepan-1-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 62616066
[4-[[5-methyl-2-(propylamino)cyclohexyl]methyl]morpholin-2-yl]methanol
CID 81214226
4-methyl-1-[[5-methyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol
CID 81116004
2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64735456
2-[2-(3-propoxypiperidin-1-yl)ethyl]-N-propylcyclopentan-1-amine
CID 79577334
2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-ol
CID 64735093

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxypiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[(3-ethoxypiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine (CID 62609685) is 2-[(3-ethoxypiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[(3-ethoxypiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[(3-ethoxypiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine is CCCNC1CCC(C)CC1CN1CCCC(OCC)C1.
What is the InChIKey of 2-[(3-ethoxypiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine?
The InChIKey is POLULPLVMRNOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-4-10-19-18-9-8-15(3)12-16(18)13-20-11-6-7-17(14-20)21-5-2/h15-19H,4-14H2,1-3H3.
What are the key properties of 2-[(3-ethoxypiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine?
2-[(3-ethoxypiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine has a molecular weight of 296.50 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxypiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 62609685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).