4-(2,4-dimethylpiperidin-1-yl)-N-methylbutan-2-amine

C12H26N2 — CID 62330145

IUPAC4-(2,4-dimethylpiperidin-1-yl)-N-methylbutan-2-amine
SMILESCNC(C)CCN1CCC(C)CC1C
InChIInChI=1S/C12H26N2/c1-10-5-7-14(12(3)9-10)8-6-11(2)13-4/h10-13H,5-9H2,1-4H3
InChIKeyVMAQMPUSJXMZDT-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.10
Rot. Bonds4

About 4-(2,4-dimethylpiperidin-1-yl)-N-methylbutan-2-amine

4-(2,4-dimethylpiperidin-1-yl)-N-methylbutan-2-amine (PubChem CID 62330145) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 4-(2,4-dimethylpiperidin-1-yl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethylpiperidin-1-yl)-N-methylbutan-2-amine
PubChem CID62330145
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name4-(2,4-dimethylpiperidin-1-yl)-N-methylbutan-2-amine
SMILESCNC(C)CCN1CCC(C)CC1C
InChIInChI=1S/C12H26N2/c1-10-5-7-14(12(3)9-10)8-6-11(2)13-4/h10-13H,5-9H2,1-4H3
InChIKeyVMAQMPUSJXMZDT-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,4-dimethylpiperidin-1-yl)pentan-2-ol
CID 62330381
2-amino-4-(2,4-dimethylpiperidin-1-yl)butan-1-ol
CID 64787601
4-(2,4-dimethylpiperidin-1-yl)-2-ethylbutan-1-amine
CID 81080026
2-(cyclopropylamino)-4-(2,4-dimethylpiperidin-1-yl)butanenitrile
CID 63028154
1-(3-chloropropyl)-2,4-dimethylpiperidine
CID 62332524
1-(2,4-dimethylpiperidin-1-yl)propan-2-amine
CID 62331948
(2R)-1-(2,4-dimethylpiperidin-1-yl)propan-2-ol
CID 103935109
6-(2,4-dimethylpiperidin-1-yl)hexan-3-amine
CID 106799729
(2S,4S)-2,4-dimethyl-1-(2-methylbutyl)piperidine
CID 130645010
3-(2,4-dimethylpiperidin-1-yl)propanal
CID 63039619
[4-methyl-1-(4-methylpentyl)piperidin-2-yl]methanamine
CID 83158891
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylbutan-2-amine
CID 62886637

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylpiperidin-1-yl)-N-methylbutan-2-amine?
The IUPAC name of 4-(2,4-dimethylpiperidin-1-yl)-N-methylbutan-2-amine (CID 62330145) is 4-(2,4-dimethylpiperidin-1-yl)-N-methylbutan-2-amine.
What is the SMILES notation for 4-(2,4-dimethylpiperidin-1-yl)-N-methylbutan-2-amine?
The canonical SMILES for 4-(2,4-dimethylpiperidin-1-yl)-N-methylbutan-2-amine is CNC(C)CCN1CCC(C)CC1C.
What is the InChIKey of 4-(2,4-dimethylpiperidin-1-yl)-N-methylbutan-2-amine?
The InChIKey is VMAQMPUSJXMZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-10-5-7-14(12(3)9-10)8-6-11(2)13-4/h10-13H,5-9H2,1-4H3.
What are the key properties of 4-(2,4-dimethylpiperidin-1-yl)-N-methylbutan-2-amine?
4-(2,4-dimethylpiperidin-1-yl)-N-methylbutan-2-amine has a molecular weight of 198.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylpiperidin-1-yl)-N-methylbutan-2-amine is sourced from PubChem (CID 62330145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).