N-ethyl-N-(2,4,4-trimethylcyclohexyl)piperidin-3-amine

C16H32N2 — CID 81320842

IUPACN-ethyl-N-(2,4,4-trimethylcyclohexyl)piperidin-3-amine
SMILESCCN(C1CCCNC1)C1CCC(C)(C)CC1C
InChIInChI=1S/C16H32N2/c1-5-18(14-7-6-10-17-12-14)15-8-9-16(3,4)11-13(15)2/h13-15,17H,5-12H2,1-4H3
InChIKeyRCARBXRWPFIVBD-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds3

About N-ethyl-N-(2,4,4-trimethylcyclohexyl)piperidin-3-amine

N-ethyl-N-(2,4,4-trimethylcyclohexyl)piperidin-3-amine (PubChem CID 81320842) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-ethyl-N-(2,4,4-trimethylcyclohexyl)piperidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(2,4,4-trimethylcyclohexyl)piperidin-3-amine
PubChem CID81320842
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-ethyl-N-(2,4,4-trimethylcyclohexyl)piperidin-3-amine
SMILESCCN(C1CCCNC1)C1CCC(C)(C)CC1C
InChIInChI=1S/C16H32N2/c1-5-18(14-7-6-10-17-12-14)15-8-9-16(3,4)11-13(15)2/h13-15,17H,5-12H2,1-4H3
InChIKeyRCARBXRWPFIVBD-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propyl-N-(2,4,4-trimethylcyclohexyl)azetidin-3-amine
CID 81315317
N-ethyl-N-(3,3,5-trimethylcyclohexyl)piperidin-3-amine
CID 63644323
N-(3,3-dimethylcyclopentyl)-N-ethylpyrrolidin-3-amine
CID 80699221
N-(4,4-dimethylcycloheptyl)-N-ethylpyrrolidin-3-amine
CID 65086175
N-ethyl-N-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-3-amine
CID 79927858
N-ethyl-N,2,4,4-tetramethylcyclohexan-1-amine
CID 130735085
N-(2,6-dimethylcyclohexyl)-N-ethylpyrrolidin-3-amine
CID 63299544
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-ethylpiperidin-3-amine
CID 63642751
2-[cyclopentyl-(2,4,4-trimethylcyclohexyl)amino]acetic acid
CID 81313655
N-(2-tert-butylcyclohexyl)-N-ethylpyrrolidin-3-amine
CID 63299503
N-ethyl-N-(3,3,5-trimethylcyclohexyl)pyrrolidin-3-amine
CID 63299103
N-ethyl-2,4,4-trimethyl-N-(piperidin-2-ylmethyl)cyclohexan-1-amine
CID 106622647

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2,4,4-trimethylcyclohexyl)piperidin-3-amine?
The IUPAC name of N-ethyl-N-(2,4,4-trimethylcyclohexyl)piperidin-3-amine (CID 81320842) is N-ethyl-N-(2,4,4-trimethylcyclohexyl)piperidin-3-amine.
What is the SMILES notation for N-ethyl-N-(2,4,4-trimethylcyclohexyl)piperidin-3-amine?
The canonical SMILES for N-ethyl-N-(2,4,4-trimethylcyclohexyl)piperidin-3-amine is CCN(C1CCCNC1)C1CCC(C)(C)CC1C.
What is the InChIKey of N-ethyl-N-(2,4,4-trimethylcyclohexyl)piperidin-3-amine?
The InChIKey is RCARBXRWPFIVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-5-18(14-7-6-10-17-12-14)15-8-9-16(3,4)11-13(15)2/h13-15,17H,5-12H2,1-4H3.
What are the key properties of N-ethyl-N-(2,4,4-trimethylcyclohexyl)piperidin-3-amine?
N-ethyl-N-(2,4,4-trimethylcyclohexyl)piperidin-3-amine has a molecular weight of 252.45 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2,4,4-trimethylcyclohexyl)piperidin-3-amine is sourced from PubChem (CID 81320842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).