1,3-dimethyl-N-(3-methylbutyl)piperidin-4-amine

C12H26N2 — CID 115705278

IUPAC1,3-dimethyl-N-(3-methylbutyl)piperidin-4-amine
SMILESCC(C)CCNC1CCN(C)CC1C
InChIInChI=1S/C12H26N2/c1-10(2)5-7-13-12-6-8-14(4)9-11(12)3/h10-13H,5-9H2,1-4H3
InChIKeyWCVMBQZFTRIKPJ-UHFFFAOYSA-N
MW198.35 g/mol
LogP1.96
Rot. Bonds4

About 1,3-dimethyl-N-(3-methylbutyl)piperidin-4-amine

1,3-dimethyl-N-(3-methylbutyl)piperidin-4-amine (PubChem CID 115705278) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1,3-dimethyl-N-(3-methylbutyl)piperidin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(3-methylbutyl)piperidin-4-amine
PubChem CID115705278
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1,3-dimethyl-N-(3-methylbutyl)piperidin-4-amine
SMILESCC(C)CCNC1CCN(C)CC1C
InChIInChI=1S/C12H26N2/c1-10(2)5-7-13-12-6-8-14(4)9-11(12)3/h10-13H,5-9H2,1-4H3
InChIKeyWCVMBQZFTRIKPJ-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(3-methylbutyl)piperidin-4-amine?
The IUPAC name of 1,3-dimethyl-N-(3-methylbutyl)piperidin-4-amine (CID 115705278) is 1,3-dimethyl-N-(3-methylbutyl)piperidin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-(3-methylbutyl)piperidin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-(3-methylbutyl)piperidin-4-amine is CC(C)CCNC1CCN(C)CC1C.
What is the InChIKey of 1,3-dimethyl-N-(3-methylbutyl)piperidin-4-amine?
The InChIKey is WCVMBQZFTRIKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-10(2)5-7-13-12-6-8-14(4)9-11(12)3/h10-13H,5-9H2,1-4H3.
What are the key properties of 1,3-dimethyl-N-(3-methylbutyl)piperidin-4-amine?
1,3-dimethyl-N-(3-methylbutyl)piperidin-4-amine has a molecular weight of 198.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(3-methylbutyl)piperidin-4-amine is sourced from PubChem (CID 115705278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).