4-ethyl-N,2-dimethyl-4-pyrrolidin-1-ylhexan-3-amine

C14H30N2 — CID 79068000

IUPAC4-ethyl-N,2-dimethyl-4-pyrrolidin-1-ylhexan-3-amine
SMILESCCC(CC)(C(NC)C(C)C)N1CCCC1
InChIInChI=1S/C14H30N2/c1-6-14(7-2,13(15-5)12(3)4)16-10-8-9-11-16/h12-13,15H,6-11H2,1-5H3
InChIKeyJLLODOFCWBGKQU-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds6

About 4-ethyl-N,2-dimethyl-4-pyrrolidin-1-ylhexan-3-amine

4-ethyl-N,2-dimethyl-4-pyrrolidin-1-ylhexan-3-amine (PubChem CID 79068000) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 4-ethyl-N,2-dimethyl-4-pyrrolidin-1-ylhexan-3-amine.

Molecular Properties

Compound Name4-ethyl-N,2-dimethyl-4-pyrrolidin-1-ylhexan-3-amine
PubChem CID79068000
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name4-ethyl-N,2-dimethyl-4-pyrrolidin-1-ylhexan-3-amine
SMILESCCC(CC)(C(NC)C(C)C)N1CCCC1
InChIInChI=1S/C14H30N2/c1-6-14(7-2,13(15-5)12(3)4)16-10-8-9-11-16/h12-13,15H,6-11H2,1-5H3
InChIKeyJLLODOFCWBGKQU-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-N,2-dimethyl-4-pyrrolidin-1-ylhexan-3-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

3-ethyl-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine
CID 79067196
N,3-diethyl-5-methyl-3-pyrrolidin-1-yloctan-4-amine
CID 107896656
(4-ethyl-2,2-dimethyl-4-pyrrolidin-1-ylhexan-3-yl)hydrazine
CID 105242234
1-cyclobutyl-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79067520
1-(3,5-difluorophenyl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79057362
3-ethyl-7-methoxy-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine
CID 103035851
3-ethyl-6-methyl-3-pyrrolidin-1-yloctan-4-amine
CID 79068216
N,4-diethyl-2-methyl-4-pyrrolidin-1-ylhex-1-en-3-amine
CID 79179723
N-ethyl-3-methyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79069202
4-ethyl-2-methyl-4-pyrrolidin-1-ylhex-1-en-3-amine
CID 79179296
2-ethyl-1-(1-ethylimidazol-2-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79067835
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 102647727

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N,2-dimethyl-4-pyrrolidin-1-ylhexan-3-amine?
The IUPAC name of 4-ethyl-N,2-dimethyl-4-pyrrolidin-1-ylhexan-3-amine (CID 79068000) is 4-ethyl-N,2-dimethyl-4-pyrrolidin-1-ylhexan-3-amine.
What is the SMILES notation for 4-ethyl-N,2-dimethyl-4-pyrrolidin-1-ylhexan-3-amine?
The canonical SMILES for 4-ethyl-N,2-dimethyl-4-pyrrolidin-1-ylhexan-3-amine is CCC(CC)(C(NC)C(C)C)N1CCCC1.
What is the InChIKey of 4-ethyl-N,2-dimethyl-4-pyrrolidin-1-ylhexan-3-amine?
The InChIKey is JLLODOFCWBGKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-6-14(7-2,13(15-5)12(3)4)16-10-8-9-11-16/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 4-ethyl-N,2-dimethyl-4-pyrrolidin-1-ylhexan-3-amine?
4-ethyl-N,2-dimethyl-4-pyrrolidin-1-ylhexan-3-amine has a molecular weight of 226.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N,2-dimethyl-4-pyrrolidin-1-ylhexan-3-amine is sourced from PubChem (CID 79068000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).