4-(4,4-diethylpiperidin-1-yl)-N-propylcyclohexan-1-amine

C18H36N2 — CID 114763283

IUPAC4-(4,4-diethylpiperidin-1-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(N2CCC(CC)(CC)CC2)CC1
InChIInChI=1S/C18H36N2/c1-4-13-19-16-7-9-17(10-8-16)20-14-11-18(5-2,6-3)12-15-20/h16-17,19H,4-15H2,1-3H3
InChIKeyWEWXPQWWBHFVDQ-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.20
Rot. Bonds6

About 4-(4,4-diethylpiperidin-1-yl)-N-propylcyclohexan-1-amine

4-(4,4-diethylpiperidin-1-yl)-N-propylcyclohexan-1-amine (PubChem CID 114763283) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 4-(4,4-diethylpiperidin-1-yl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(4,4-diethylpiperidin-1-yl)-N-propylcyclohexan-1-amine
PubChem CID114763283
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name4-(4,4-diethylpiperidin-1-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(N2CCC(CC)(CC)CC2)CC1
InChIInChI=1S/C18H36N2/c1-4-13-19-16-7-9-17(10-8-16)20-14-11-18(5-2,6-3)12-15-20/h16-17,19H,4-15H2,1-3H3
InChIKeyWEWXPQWWBHFVDQ-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(cyclohexylmethyl)piperidin-4-yl]-N',N'-diethylpropane-1,3-diamine
CID 44389022
4-(4-Methylpiperidin-1-yl)cyclohexan-1-amine
CID 62807252
(4S)-N-[4-(4-methylpiperidin-1-yl)cyclohexyl]azepan-4-amine
CID 171359336
ethane;N-propyl-4-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine
CID 178011250
N-methyl-N-(piperidin-4-ylmethyl)cyclohexanamine
CID 16768283
4-Dimethylamino-3-ethyl-3-methylpiperidine
CID 22278840
N,1,2,3,3-pentamethylpiperidin-4-amine
CID 22278923
2',4,4-Trimethyl-1,4'-bipiperidine
CID 22947908
4-(4,4-Dimethyl-piperidin-1YL)-cyclohexylamine
CID 57741206
3-Isopropyl-3,9-diazaspiro[5.5]undecane
CID 58101745
2,4-Ditert-butyl-3-azaspiro[5.5]undecane
CID 58402902
4-N-tert-butyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,4-diamine
CID 58707413

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-diethylpiperidin-1-yl)-N-propylcyclohexan-1-amine?
The IUPAC name of 4-(4,4-diethylpiperidin-1-yl)-N-propylcyclohexan-1-amine (CID 114763283) is 4-(4,4-diethylpiperidin-1-yl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-(4,4-diethylpiperidin-1-yl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-(4,4-diethylpiperidin-1-yl)-N-propylcyclohexan-1-amine is CCCNC1CCC(N2CCC(CC)(CC)CC2)CC1.
What is the InChIKey of 4-(4,4-diethylpiperidin-1-yl)-N-propylcyclohexan-1-amine?
The InChIKey is WEWXPQWWBHFVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-13-19-16-7-9-17(10-8-16)20-14-11-18(5-2,6-3)12-15-20/h16-17,19H,4-15H2,1-3H3.
What are the key properties of 4-(4,4-diethylpiperidin-1-yl)-N-propylcyclohexan-1-amine?
4-(4,4-diethylpiperidin-1-yl)-N-propylcyclohexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-diethylpiperidin-1-yl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 114763283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).