4-(2,4-dimethylpiperidin-1-yl)-2-ethylbutan-1-amine

C13H28N2 — CID 81080026

IUPAC4-(2,4-dimethylpiperidin-1-yl)-2-ethylbutan-1-amine
SMILESCCC(CN)CCN1CCC(C)CC1C
InChIInChI=1S/C13H28N2/c1-4-13(10-14)6-8-15-7-5-11(2)9-12(15)3/h11-13H,4-10,14H2,1-3H3
InChIKeyKJHFVXVTIVTCJH-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.48
Rot. Bonds5

About 4-(2,4-dimethylpiperidin-1-yl)-2-ethylbutan-1-amine

4-(2,4-dimethylpiperidin-1-yl)-2-ethylbutan-1-amine (PubChem CID 81080026) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 4-(2,4-dimethylpiperidin-1-yl)-2-ethylbutan-1-amine.

Molecular Properties

Compound Name4-(2,4-dimethylpiperidin-1-yl)-2-ethylbutan-1-amine
PubChem CID81080026
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name4-(2,4-dimethylpiperidin-1-yl)-2-ethylbutan-1-amine
SMILESCCC(CN)CCN1CCC(C)CC1C
InChIInChI=1S/C13H28N2/c1-4-13(10-14)6-8-15-7-5-11(2)9-12(15)3/h11-13H,4-10,14H2,1-3H3
InChIKeyKJHFVXVTIVTCJH-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Ethyl-2-methylpiperidine
CID 7727
4-Propylpiperidine
CID 31169
2,3-Dimethylpiperidine
CID 95359
1-Methylpiperidine-4-methylamine
CID 81574
2-(3,5-Dimethylpiperidin-1-yl)ethan-1-amine
CID 6484177
1-(2-Methylpropyl)piperidin-4-amine
CID 550780
3-(4-Methylpiperidin-1-yl)propan-1-amine
CID 3149264
2,5-Dimethylpiperidine
CID 524018
3-(Propan-2-yl)piperidine
CID 541786
2,4,6-Trimethylpiperidine
CID 89562
N-(cyclohexylmethyl)-1-ethylpiperidin-4-amine
CID 2846481
2,4-Dimethylpiperidine
CID 95423

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylpiperidin-1-yl)-2-ethylbutan-1-amine?
The IUPAC name of 4-(2,4-dimethylpiperidin-1-yl)-2-ethylbutan-1-amine (CID 81080026) is 4-(2,4-dimethylpiperidin-1-yl)-2-ethylbutan-1-amine.
What is the SMILES notation for 4-(2,4-dimethylpiperidin-1-yl)-2-ethylbutan-1-amine?
The canonical SMILES for 4-(2,4-dimethylpiperidin-1-yl)-2-ethylbutan-1-amine is CCC(CN)CCN1CCC(C)CC1C.
What is the InChIKey of 4-(2,4-dimethylpiperidin-1-yl)-2-ethylbutan-1-amine?
The InChIKey is KJHFVXVTIVTCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-13(10-14)6-8-15-7-5-11(2)9-12(15)3/h11-13H,4-10,14H2,1-3H3.
What are the key properties of 4-(2,4-dimethylpiperidin-1-yl)-2-ethylbutan-1-amine?
4-(2,4-dimethylpiperidin-1-yl)-2-ethylbutan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.48, 5 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)-2-ethylbutan-1-amine is sourced from PubChem (CID 81080026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).