N-(cyclohex-3-en-1-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine

C16H30N2 — CID 4852059

IUPACN-(cyclohex-3-en-1-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCC1(C)CC(NCC2CC=CCC2)CC(C)(C)N1
InChIInChI=1S/C16H30N2/c1-15(2)10-14(11-16(3,4)18-15)17-12-13-8-6-5-7-9-13/h5-6,13-14,17-18H,7-12H2,1-4H3
InChIKeyHSMOIQFGPQDYBI-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.24
Rot. Bonds3

About N-(cyclohex-3-en-1-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine

N-(cyclohex-3-en-1-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine (PubChem CID 4852059) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine
PubChem CID4852059
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCC1(C)CC(NCC2CC=CCC2)CC(C)(C)N1
InChIInChI=1S/C16H30N2/c1-15(2)10-14(11-16(3,4)18-15)17-12-13-8-6-5-7-9-13/h5-6,13-14,17-18H,7-12H2,1-4H3
InChIKeyHSMOIQFGPQDYBI-UHFFFAOYSA-N
XLogP3.24
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine (CID 4852059) is N-(cyclohex-3-en-1-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine is CC1(C)CC(NCC2CC=CCC2)CC(C)(C)N1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine?
The InChIKey is HSMOIQFGPQDYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-15(2)10-14(11-16(3,4)18-15)17-12-13-8-6-5-7-9-13/h5-6,13-14,17-18H,7-12H2,1-4H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine?
N-(cyclohex-3-en-1-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine has a molecular weight of 250.43 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine is sourced from PubChem (CID 4852059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).