[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-yl]methanamine

C16H32N2 — CID 112682529

IUPAC[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-yl]methanamine
SMILESCC1(C)CC(N2CCC(CN)CC2)CC(C)(C)C1
InChIInChI=1S/C16H32N2/c1-15(2)9-14(10-16(3,4)12-15)18-7-5-13(11-17)6-8-18/h13-14H,5-12,17H2,1-4H3
InChIKeyIOVWMEXFBNUCTH-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.26
Rot. Bonds2

About [1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-yl]methanamine

[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-yl]methanamine (PubChem CID 112682529) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is [1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-yl]methanamine
PubChem CID112682529
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-yl]methanamine
SMILESCC1(C)CC(N2CCC(CN)CC2)CC(C)(C)C1
InChIInChI=1S/C16H32N2/c1-15(2)9-14(10-16(3,4)12-15)18-7-5-13(11-17)6-8-18/h13-14H,5-12,17H2,1-4H3
InChIKeyIOVWMEXFBNUCTH-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-3-yl]ethanamine
CID 112682550
2-[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]ethanamine
CID 79946619
[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine;hydrochloride
CID 171394437
1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane
CID 103968297
[1-[(1R,5R)-3,3,5-trimethylcyclohexyl]piperidin-4-yl]methanol
CID 129493314
[1-(5-methylthiolan-3-yl)piperidin-4-yl]methanamine
CID 79949423
[1-(1-methylazepan-4-yl)piperidin-4-yl]methanamine
CID 65075116
[1-(3,3-dimethylcyclopentyl)piperidin-3-yl]methanamine
CID 80699912
1-(3,3-dimethylcyclobutyl)-N-methylpiperidin-4-amine
CID 130865497
[1-(4-propylcycloheptyl)piperidin-4-yl]methanamine
CID 65088785
[1-(thian-3-yl)piperidin-4-yl]methanamine
CID 62873474
ethane;(1-methylpiperidin-4-yl)methanamine
CID 91043349

Frequently Asked Questions

What is the IUPAC name of [1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-yl]methanamine (CID 112682529) is [1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-yl]methanamine is CC1(C)CC(N2CCC(CN)CC2)CC(C)(C)C1.
What is the InChIKey of [1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-yl]methanamine?
The InChIKey is IOVWMEXFBNUCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-15(2)9-14(10-16(3,4)12-15)18-7-5-13(11-17)6-8-18/h13-14H,5-12,17H2,1-4H3.
What are the key properties of [1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-yl]methanamine?
[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-yl]methanamine has a molecular weight of 252.45 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 112682529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).