N-[(4-butylcyclohexyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine

C20H40N2 — CID 94964344

IUPACN-[(4-butylcyclohexyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCCCCC1CCC(CNC2CC(C)(C)NC(C)(C)C2)CC1
InChIInChI=1S/C20H40N2/c1-6-7-8-16-9-11-17(12-10-16)15-21-18-13-19(2,3)22-20(4,5)14-18/h16-18,21-22H,6-15H2,1-5H3
InChIKeyPOKGWNAVBWVUBN-UHFFFAOYSA-N
MW308.55 g/mol
LogP4.88
Rot. Bonds6

About N-[(4-butylcyclohexyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine

N-[(4-butylcyclohexyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine (PubChem CID 94964344) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is N-[(4-butylcyclohexyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(4-butylcyclohexyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
PubChem CID94964344
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC NameN-[(4-butylcyclohexyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCCCCC1CCC(CNC2CC(C)(C)NC(C)(C)C2)CC1
InChIInChI=1S/C20H40N2/c1-6-7-8-16-9-11-17(12-10-16)15-21-18-13-19(2,3)22-20(4,5)14-18/h16-18,21-22H,6-15H2,1-5H3
InChIKeyPOKGWNAVBWVUBN-UHFFFAOYSA-N
XLogP4.88
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.55
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-butylcyclohexyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The IUPAC name of N-[(4-butylcyclohexyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine (CID 94964344) is N-[(4-butylcyclohexyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine.
What is the SMILES notation for N-[(4-butylcyclohexyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The canonical SMILES for N-[(4-butylcyclohexyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine is CCCCC1CCC(CNC2CC(C)(C)NC(C)(C)C2)CC1.
What is the InChIKey of N-[(4-butylcyclohexyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The InChIKey is POKGWNAVBWVUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2/c1-6-7-8-16-9-11-17(12-10-16)15-21-18-13-19(2,3)22-20(4,5)14-18/h16-18,21-22H,6-15H2,1-5H3.
What are the key properties of N-[(4-butylcyclohexyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
N-[(4-butylcyclohexyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine has a molecular weight of 308.55 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butylcyclohexyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine is sourced from PubChem (CID 94964344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).