N-ethyl-N,3-dimethyl-4-piperidin-1-ylbutan-1-amine

C13H28N2 — CID 171788339

IUPACN-ethyl-N,3-dimethyl-4-piperidin-1-ylbutan-1-amine
SMILESCCN(C)CCC(C)CN1CCCCC1
InChIInChI=1S/C13H28N2/c1-4-14(3)11-8-13(2)12-15-9-6-5-7-10-15/h13H,4-12H2,1-3H3
InChIKeyWITXQLHUCCJSNU-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.45
Rot. Bonds6

About N-ethyl-N,3-dimethyl-4-piperidin-1-ylbutan-1-amine

N-ethyl-N,3-dimethyl-4-piperidin-1-ylbutan-1-amine (PubChem CID 171788339) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-ethyl-N,3-dimethyl-4-piperidin-1-ylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-N,3-dimethyl-4-piperidin-1-ylbutan-1-amine
PubChem CID171788339
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-ethyl-N,3-dimethyl-4-piperidin-1-ylbutan-1-amine
SMILESCCN(C)CCC(C)CN1CCCCC1
InChIInChI=1S/C13H28N2/c1-4-14(3)11-8-13(2)12-15-9-6-5-7-10-15/h13H,4-12H2,1-3H3
InChIKeyWITXQLHUCCJSNU-UHFFFAOYSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-ethyl-N,3-dimethyl-4-piperidin-1-ylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-methyl-2-piperidin-1-ylethanamine
CID 18427099
N,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane;methane
CID 171788933
butane;N,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane
CID 171788496
(3S)-N-ethyl-N,3-dimethylpentan-1-amine
CID 89357634
4-methyl-5-piperidin-1-ylpentanal
CID 142529558
N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine
CID 81080728
N'-ethyl-N',2-dimethylbutane-1,4-diamine
CID 81079542
N-ethyl-N,3,5-trimethylheptan-1-amine
CID 123997066
1-(3-bromo-2-methylpropyl)piperidine;hydrobromide
CID 139026359
5-methyl-N-(1-piperidin-1-ylpropan-2-yl)hexan-2-amine
CID 43749079
1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine
CID 159983719
3-(azetidin-1-yl)-N-ethyl-N-methylpropan-1-amine
CID 139401057

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,3-dimethyl-4-piperidin-1-ylbutan-1-amine?
The IUPAC name of N-ethyl-N,3-dimethyl-4-piperidin-1-ylbutan-1-amine (CID 171788339) is N-ethyl-N,3-dimethyl-4-piperidin-1-ylbutan-1-amine.
What is the SMILES notation for N-ethyl-N,3-dimethyl-4-piperidin-1-ylbutan-1-amine?
The canonical SMILES for N-ethyl-N,3-dimethyl-4-piperidin-1-ylbutan-1-amine is CCN(C)CCC(C)CN1CCCCC1.
What is the InChIKey of N-ethyl-N,3-dimethyl-4-piperidin-1-ylbutan-1-amine?
The InChIKey is WITXQLHUCCJSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-14(3)11-8-13(2)12-15-9-6-5-7-10-15/h13H,4-12H2,1-3H3.
What are the key properties of N-ethyl-N,3-dimethyl-4-piperidin-1-ylbutan-1-amine?
N-ethyl-N,3-dimethyl-4-piperidin-1-ylbutan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,3-dimethyl-4-piperidin-1-ylbutan-1-amine is sourced from PubChem (CID 171788339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).