1-(2,4,4-trimethylcyclohexyl)piperidin-3-amine

C14H28N2 — CID 81320841

IUPAC1-(2,4,4-trimethylcyclohexyl)piperidin-3-amine
SMILESCC1CC(C)(C)CCC1N1CCCC(N)C1
InChIInChI=1S/C14H28N2/c1-11-9-14(2,3)7-6-13(11)16-8-4-5-12(15)10-16/h11-13H,4-10,15H2,1-3H3
InChIKeyNPWBKCQYMJKWFY-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.62
Rot. Bonds1

About 1-(2,4,4-trimethylcyclohexyl)piperidin-3-amine

1-(2,4,4-trimethylcyclohexyl)piperidin-3-amine (PubChem CID 81320841) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-(2,4,4-trimethylcyclohexyl)piperidin-3-amine.

Molecular Properties

Compound Name1-(2,4,4-trimethylcyclohexyl)piperidin-3-amine
PubChem CID81320841
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-(2,4,4-trimethylcyclohexyl)piperidin-3-amine
SMILESCC1CC(C)(C)CCC1N1CCCC(N)C1
InChIInChI=1S/C14H28N2/c1-11-9-14(2,3)7-6-13(11)16-8-4-5-12(15)10-16/h11-13H,4-10,15H2,1-3H3
InChIKeyNPWBKCQYMJKWFY-UHFFFAOYSA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-yl]ethanamine
CID 103975531
2-(3,4-dimethylpyrrolidin-1-yl)-4,4-dimethylcyclohexan-1-amine
CID 79188144
3-methyl-1-(2,4,4-trimethylcyclopentyl)piperidin-4-amine
CID 106663521
1-(2,2-dimethylcyclohexyl)piperidin-3-amine
CID 79847602
[1-(3,3-dimethylcyclopentyl)piperidin-3-yl]methanamine
CID 80699912
1-(3,3-dimethylcyclopentyl)azetidin-3-amine
CID 80698532
(3R)-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-amine
CID 131065558
3-amino-1-(2,4,4-trimethylcyclohexyl)pyrrolidine-3-carboxylic acid
CID 107321483
1-(3,3-dimethylcyclohexyl)azetidin-3-amine
CID 65244920
5-methyl-1-(2,4,4-trimethylcyclopentyl)piperidin-3-amine
CID 106663522
1-cyclobutylpiperidin-3-amine
CID 63935163
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4,4-dimethylcyclohexan-1-ol
CID 79942978

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,4-trimethylcyclohexyl)piperidin-3-amine?
The IUPAC name of 1-(2,4,4-trimethylcyclohexyl)piperidin-3-amine (CID 81320841) is 1-(2,4,4-trimethylcyclohexyl)piperidin-3-amine.
What is the SMILES notation for 1-(2,4,4-trimethylcyclohexyl)piperidin-3-amine?
The canonical SMILES for 1-(2,4,4-trimethylcyclohexyl)piperidin-3-amine is CC1CC(C)(C)CCC1N1CCCC(N)C1.
What is the InChIKey of 1-(2,4,4-trimethylcyclohexyl)piperidin-3-amine?
The InChIKey is NPWBKCQYMJKWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-11-9-14(2,3)7-6-13(11)16-8-4-5-12(15)10-16/h11-13H,4-10,15H2,1-3H3.
What are the key properties of 1-(2,4,4-trimethylcyclohexyl)piperidin-3-amine?
1-(2,4,4-trimethylcyclohexyl)piperidin-3-amine has a molecular weight of 224.39 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,4-trimethylcyclohexyl)piperidin-3-amine is sourced from PubChem (CID 81320841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).