3,3,5-trimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylcyclohexan-1-amine

C18H36N2 — CID 106622016

IUPAC3,3,5-trimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylcyclohexan-1-amine
SMILESCC1CC(N(CC2CCCCN2)C(C)C)CC(C)(C)C1
InChIInChI=1S/C18H36N2/c1-14(2)20(13-16-8-6-7-9-19-16)17-10-15(3)11-18(4,5)12-17/h14-17,19H,6-13H2,1-5H3
InChIKeyQJGLPGONNDOZDA-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.05
Rot. Bonds4

About 3,3,5-trimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylcyclohexan-1-amine

3,3,5-trimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylcyclohexan-1-amine (PubChem CID 106622016) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 3,3,5-trimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5-trimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylcyclohexan-1-amine
PubChem CID106622016
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name3,3,5-trimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylcyclohexan-1-amine
SMILESCC1CC(N(CC2CCCCN2)C(C)C)CC(C)(C)C1
InChIInChI=1S/C18H36N2/c1-14(2)20(13-16-8-6-7-9-19-16)17-10-15(3)11-18(4,5)12-17/h14-17,19H,6-13H2,1-5H3
InChIKeyQJGLPGONNDOZDA-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylcyclohexan-1-amine
CID 106622300
2,2-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-yloxan-4-amine
CID 106622299
8-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 106621974
N-(piperidin-2-ylmethyl)-N-propan-2-yloxetan-3-amine
CID 176601027
N-(piperidin-2-ylmethyl)-N-propan-2-yloxolan-3-amine
CID 106622294
1-ethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpiperidin-4-amine
CID 106622124
N-(piperidin-2-ylmethyl)-N-propan-2-yl-5-oxaspiro[3.5]nonan-8-amine
CID 106632077
N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 106622307
N,3-di(propan-2-yl)-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
CID 107449580
1,5-dimethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrrolidin-3-amine
CID 106603013
2,2,5,5-tetramethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)oxolan-3-amine
CID 106602894
N-(2,6-dimethylheptan-4-yl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621648

Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 3,3,5-trimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylcyclohexan-1-amine (CID 106622016) is 3,3,5-trimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 3,3,5-trimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 3,3,5-trimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylcyclohexan-1-amine is CC1CC(N(CC2CCCCN2)C(C)C)CC(C)(C)C1.
What is the InChIKey of 3,3,5-trimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is QJGLPGONNDOZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-14(2)20(13-16-8-6-7-9-19-16)17-10-15(3)11-18(4,5)12-17/h14-17,19H,6-13H2,1-5H3.
What are the key properties of 3,3,5-trimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylcyclohexan-1-amine?
3,3,5-trimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 106622016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).