N-butyl-N,2,2-trimethyl-6-methylidenepiperidin-4-amine

C13H26N2 — CID 89232093

IUPACN-butyl-N,2,2-trimethyl-6-methylidenepiperidin-4-amine
SMILESC=C1CC(N(C)CCCC)CC(C)(C)N1
InChIInChI=1S/C13H26N2/c1-6-7-8-15(5)12-9-11(2)14-13(3,4)10-12/h12,14H,2,6-10H2,1,3-5H3
InChIKeySETORVFEBQNILH-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.76
Rot. Bonds4

About N-butyl-N,2,2-trimethyl-6-methylidenepiperidin-4-amine

N-butyl-N,2,2-trimethyl-6-methylidenepiperidin-4-amine (PubChem CID 89232093) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-butyl-N,2,2-trimethyl-6-methylidenepiperidin-4-amine.

Molecular Properties

Compound NameN-butyl-N,2,2-trimethyl-6-methylidenepiperidin-4-amine
PubChem CID89232093
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-butyl-N,2,2-trimethyl-6-methylidenepiperidin-4-amine
SMILESC=C1CC(N(C)CCCC)CC(C)(C)N1
InChIInChI=1S/C13H26N2/c1-6-7-8-15(5)12-9-11(2)14-13(3,4)10-12/h12,14H,2,6-10H2,1,3-5H3
InChIKeySETORVFEBQNILH-UHFFFAOYSA-N
XLogP2.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N,2,2-trimethyl-6-methylidenepiperidin-4-amine?
The IUPAC name of N-butyl-N,2,2-trimethyl-6-methylidenepiperidin-4-amine (CID 89232093) is N-butyl-N,2,2-trimethyl-6-methylidenepiperidin-4-amine.
What is the SMILES notation for N-butyl-N,2,2-trimethyl-6-methylidenepiperidin-4-amine?
The canonical SMILES for N-butyl-N,2,2-trimethyl-6-methylidenepiperidin-4-amine is C=C1CC(N(C)CCCC)CC(C)(C)N1.
What is the InChIKey of N-butyl-N,2,2-trimethyl-6-methylidenepiperidin-4-amine?
The InChIKey is SETORVFEBQNILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-6-7-8-15(5)12-9-11(2)14-13(3,4)10-12/h12,14H,2,6-10H2,1,3-5H3.
What are the key properties of N-butyl-N,2,2-trimethyl-6-methylidenepiperidin-4-amine?
N-butyl-N,2,2-trimethyl-6-methylidenepiperidin-4-amine has a molecular weight of 210.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,2,2-trimethyl-6-methylidenepiperidin-4-amine is sourced from PubChem (CID 89232093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).