N,2,4,4-tetramethyl-N-(piperidin-4-ylmethyl)cyclohexan-1-amine

C16H32N2 — CID 81314828

IUPACN,2,4,4-tetramethyl-N-(piperidin-4-ylmethyl)cyclohexan-1-amine
SMILESCC1CC(C)(C)CCC1N(C)CC1CCNCC1
InChIInChI=1S/C16H32N2/c1-13-11-16(2,3)8-5-15(13)18(4)12-14-6-9-17-10-7-14/h13-15,17H,5-12H2,1-4H3
InChIKeyHNYUEOYIEDPDIN-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.13
Rot. Bonds3

About N,2,4,4-tetramethyl-N-(piperidin-4-ylmethyl)cyclohexan-1-amine

N,2,4,4-tetramethyl-N-(piperidin-4-ylmethyl)cyclohexan-1-amine (PubChem CID 81314828) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N,2,4,4-tetramethyl-N-(piperidin-4-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN,2,4,4-tetramethyl-N-(piperidin-4-ylmethyl)cyclohexan-1-amine
PubChem CID81314828
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN,2,4,4-tetramethyl-N-(piperidin-4-ylmethyl)cyclohexan-1-amine
SMILESCC1CC(C)(C)CCC1N(C)CC1CCNCC1
InChIInChI=1S/C16H32N2/c1-13-11-16(2,3)8-5-15(13)18(4)12-14-6-9-17-10-7-14/h13-15,17H,5-12H2,1-4H3
InChIKeyHNYUEOYIEDPDIN-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2,4,4-tetramethyl-N-(piperidin-4-ylmethyl)cyclohexan-1-amine?
The IUPAC name of N,2,4,4-tetramethyl-N-(piperidin-4-ylmethyl)cyclohexan-1-amine (CID 81314828) is N,2,4,4-tetramethyl-N-(piperidin-4-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for N,2,4,4-tetramethyl-N-(piperidin-4-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for N,2,4,4-tetramethyl-N-(piperidin-4-ylmethyl)cyclohexan-1-amine is CC1CC(C)(C)CCC1N(C)CC1CCNCC1.
What is the InChIKey of N,2,4,4-tetramethyl-N-(piperidin-4-ylmethyl)cyclohexan-1-amine?
The InChIKey is HNYUEOYIEDPDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-13-11-16(2,3)8-5-15(13)18(4)12-14-6-9-17-10-7-14/h13-15,17H,5-12H2,1-4H3.
What are the key properties of N,2,4,4-tetramethyl-N-(piperidin-4-ylmethyl)cyclohexan-1-amine?
N,2,4,4-tetramethyl-N-(piperidin-4-ylmethyl)cyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4,4-tetramethyl-N-(piperidin-4-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 81314828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).