2-[(4,4-diethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine

C18H36N2 — CID 63495462

IUPAC2-[(4,4-diethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCCC1CN1CCC(CC)(CC)CC1
InChIInChI=1S/C18H36N2/c1-4-18(5-2)11-13-20(14-12-18)15-16-9-7-8-10-17(16)19-6-3/h16-17,19H,4-15H2,1-3H3
InChIKeyZOCVXPVCYVLQQQ-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.06
Rot. Bonds6

About 2-[(4,4-diethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine

2-[(4,4-diethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine (PubChem CID 63495462) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-[(4,4-diethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(4,4-diethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine
PubChem CID63495462
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2-[(4,4-diethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCCC1CN1CCC(CC)(CC)CC1
InChIInChI=1S/C18H36N2/c1-4-18(5-2)11-13-20(14-12-18)15-16-9-7-8-10-17(16)19-6-3/h16-17,19H,4-15H2,1-3H3
InChIKeyZOCVXPVCYVLQQQ-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine
CID 62931664
2-[(4,4-diethylpiperidin-1-yl)methyl]-N-methylcyclopentan-1-amine
CID 63160246
2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-ethylcycloheptan-1-amine
CID 62610035
N-ethyl-2-[(4-methylazepan-1-yl)methyl]cycloheptan-1-amine
CID 63623409
2-[4-[[2-(ethylamino)cycloheptyl]methyl]piperazin-1-yl]ethanol
CID 62614980
2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-ethylcyclohexan-1-amine
CID 62773696
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-ethylcyclohexan-1-amine
CID 113336166
2-[4-[[2-(ethylamino)cyclopentyl]methyl]piperazin-1-yl]ethanol
CID 62616915
1-[[2-(ethylamino)cycloheptyl]methyl]pyrrolidin-3-ol
CID 62941371
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethylcycloheptan-1-amine
CID 63495679
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N-ethylcyclopentan-1-amine
CID 55094514
2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 65282251

Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-diethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine?
The IUPAC name of 2-[(4,4-diethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine (CID 63495462) is 2-[(4,4-diethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 2-[(4,4-diethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine?
The canonical SMILES for 2-[(4,4-diethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine is CCNC1CCCCC1CN1CCC(CC)(CC)CC1.
What is the InChIKey of 2-[(4,4-diethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine?
The InChIKey is ZOCVXPVCYVLQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-18(5-2)11-13-20(14-12-18)15-16-9-7-8-10-17(16)19-6-3/h16-17,19H,4-15H2,1-3H3.
What are the key properties of 2-[(4,4-diethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine?
2-[(4,4-diethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-diethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 63495462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).