2-[4-[(dimethylamino)methyl]-4-ethylpiperidin-1-yl]-N-methylpropan-1-amine

C14H31N3 — CID 123284028

IUPAC2-[4-[(dimethylamino)methyl]-4-ethylpiperidin-1-yl]-N-methylpropan-1-amine
SMILESCCC1(CN(C)C)CCN(C(C)CNC)CC1
InChIInChI=1S/C14H31N3/c1-6-14(12-16(4)5)7-9-17(10-8-14)13(2)11-15-3/h13,15H,6-12H2,1-5H3
InChIKeyJXQDZQIGVJUEKO-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.65
Rot. Bonds6

About 2-[4-[(dimethylamino)methyl]-4-ethylpiperidin-1-yl]-N-methylpropan-1-amine

2-[4-[(dimethylamino)methyl]-4-ethylpiperidin-1-yl]-N-methylpropan-1-amine (PubChem CID 123284028) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-[4-[(dimethylamino)methyl]-4-ethylpiperidin-1-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-[(dimethylamino)methyl]-4-ethylpiperidin-1-yl]-N-methylpropan-1-amine
PubChem CID123284028
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name2-[4-[(dimethylamino)methyl]-4-ethylpiperidin-1-yl]-N-methylpropan-1-amine
SMILESCCC1(CN(C)C)CCN(C(C)CNC)CC1
InChIInChI=1S/C14H31N3/c1-6-14(12-16(4)5)7-9-17(10-8-14)13(2)11-15-3/h13,15H,6-12H2,1-5H3
InChIKeyJXQDZQIGVJUEKO-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl(2-(4-methylpiperidin-1-yl)ethyl)amine
CID 43199381
1,3,3-Trimethylpiperidin-4-amine
CID 68271528
N-(2-Piperidylmethyl)-dimethylamine
CID 252484
(1,4-Dimethylpiperidin-4-yl)methanamine
CID 20759990
1-(3,3-Dimethylbutyl)piperazine
CID 23112345
N,1-dimethyl-N-[2-(methylamino)ethyl]piperidin-4-amine
CID 28598734
N,1-dimethylpiperidin-3-amine
CID 547176
Methyl[(1-methylpiperidin-2-yl)methyl]amine
CID 10240913
1-Propylpiperidin-3-amine
CID 18464262
1-(1-Methylpiperidin-4-yl)ethan-1-amine
CID 21057734
(1-Isopropylpiperidin-4-yl)methanamine
CID 7258859
(1-(2-(Dimethylamino)ethyl)piperidin-4-yl)methanamine
CID 28397654

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(dimethylamino)methyl]-4-ethylpiperidin-1-yl]-N-methylpropan-1-amine?
The IUPAC name of 2-[4-[(dimethylamino)methyl]-4-ethylpiperidin-1-yl]-N-methylpropan-1-amine (CID 123284028) is 2-[4-[(dimethylamino)methyl]-4-ethylpiperidin-1-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 2-[4-[(dimethylamino)methyl]-4-ethylpiperidin-1-yl]-N-methylpropan-1-amine?
The canonical SMILES for 2-[4-[(dimethylamino)methyl]-4-ethylpiperidin-1-yl]-N-methylpropan-1-amine is CCC1(CN(C)C)CCN(C(C)CNC)CC1.
What is the InChIKey of 2-[4-[(dimethylamino)methyl]-4-ethylpiperidin-1-yl]-N-methylpropan-1-amine?
The InChIKey is JXQDZQIGVJUEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-6-14(12-16(4)5)7-9-17(10-8-14)13(2)11-15-3/h13,15H,6-12H2,1-5H3.
What are the key properties of 2-[4-[(dimethylamino)methyl]-4-ethylpiperidin-1-yl]-N-methylpropan-1-amine?
2-[4-[(dimethylamino)methyl]-4-ethylpiperidin-1-yl]-N-methylpropan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(dimethylamino)methyl]-4-ethylpiperidin-1-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 123284028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).