2-(2,4-dimethylpiperidin-1-yl)-3-methylhexan-1-amine

C14H30N2 — CID 62331005

IUPAC2-(2,4-dimethylpiperidin-1-yl)-3-methylhexan-1-amine
SMILESCCCC(C)C(CN)N1CCC(C)CC1C
InChIInChI=1S/C14H30N2/c1-5-6-12(3)14(10-15)16-8-7-11(2)9-13(16)4/h11-14H,5-10,15H2,1-4H3
InChIKeyDKMDLXKODCDJJA-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.87
Rot. Bonds5

About 2-(2,4-dimethylpiperidin-1-yl)-3-methylhexan-1-amine

2-(2,4-dimethylpiperidin-1-yl)-3-methylhexan-1-amine (PubChem CID 62331005) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-(2,4-dimethylpiperidin-1-yl)-3-methylhexan-1-amine.

Molecular Properties

Compound Name2-(2,4-dimethylpiperidin-1-yl)-3-methylhexan-1-amine
PubChem CID62331005
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-(2,4-dimethylpiperidin-1-yl)-3-methylhexan-1-amine
SMILESCCCC(C)C(CN)N1CCC(C)CC1C
InChIInChI=1S/C14H30N2/c1-5-6-12(3)14(10-15)16-8-7-11(2)9-13(16)4/h11-14H,5-10,15H2,1-4H3
InChIKeyDKMDLXKODCDJJA-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)-3-methylhexan-1-amine?
The IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)-3-methylhexan-1-amine (CID 62331005) is 2-(2,4-dimethylpiperidin-1-yl)-3-methylhexan-1-amine.
What is the SMILES notation for 2-(2,4-dimethylpiperidin-1-yl)-3-methylhexan-1-amine?
The canonical SMILES for 2-(2,4-dimethylpiperidin-1-yl)-3-methylhexan-1-amine is CCCC(C)C(CN)N1CCC(C)CC1C.
What is the InChIKey of 2-(2,4-dimethylpiperidin-1-yl)-3-methylhexan-1-amine?
The InChIKey is DKMDLXKODCDJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-6-12(3)14(10-15)16-8-7-11(2)9-13(16)4/h11-14H,5-10,15H2,1-4H3.
What are the key properties of 2-(2,4-dimethylpiperidin-1-yl)-3-methylhexan-1-amine?
2-(2,4-dimethylpiperidin-1-yl)-3-methylhexan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpiperidin-1-yl)-3-methylhexan-1-amine is sourced from PubChem (CID 62331005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).