N-(cyclohexylmethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine

C17H34N2 — CID 55196456

IUPACN-(cyclohexylmethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
SMILESCCC1(C)CCN(CCNCC2CCCCC2)CC1
InChIInChI=1S/C17H34N2/c1-3-17(2)9-12-19(13-10-17)14-11-18-15-16-7-5-4-6-8-16/h16,18H,3-15H2,1-2H3
InChIKeyGIXRBLOLJQFEEO-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.67
Rot. Bonds6

About N-(cyclohexylmethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine

N-(cyclohexylmethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine (PubChem CID 55196456) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
PubChem CID55196456
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-(cyclohexylmethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
SMILESCCC1(C)CCN(CCNCC2CCCCC2)CC1
InChIInChI=1S/C17H34N2/c1-3-17(2)9-12-19(13-10-17)14-11-18-15-16-7-5-4-6-8-16/h16,18H,3-15H2,1-2H3
InChIKeyGIXRBLOLJQFEEO-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine?
The IUPAC name of N-(cyclohexylmethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine (CID 55196456) is N-(cyclohexylmethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for N-(cyclohexylmethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine is CCC1(C)CCN(CCNCC2CCCCC2)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine?
The InChIKey is GIXRBLOLJQFEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-3-17(2)9-12-19(13-10-17)14-11-18-15-16-7-5-4-6-8-16/h16,18H,3-15H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine?
N-(cyclohexylmethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine has a molecular weight of 266.47 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 55196456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).