N-ethyl-3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine

C16H27N3 — CID 104736482

IUPACN-ethyl-3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine
SMILESCCNC(Cc1cccnc1)C(C)(C)N1CCCC1
InChIInChI=1S/C16H27N3/c1-4-18-15(12-14-8-7-9-17-13-14)16(2,3)19-10-5-6-11-19/h7-9,13,15,18H,4-6,10-12H2,1-3H3
InChIKeyJGNOSFAJBDQDSU-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.48
Rot. Bonds6

About N-ethyl-3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine

N-ethyl-3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine (PubChem CID 104736482) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine
PubChem CID104736482
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-ethyl-3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine
SMILESCCNC(Cc1cccnc1)C(C)(C)N1CCCC1
InChIInChI=1S/C16H27N3/c1-4-18-15(12-14-8-7-9-17-13-14)16(2,3)19-10-5-6-11-19/h7-9,13,15,18H,4-6,10-12H2,1-3H3
InChIKeyJGNOSFAJBDQDSU-UHFFFAOYSA-N
XLogP2.48
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-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-methyl-N-propyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine
CID 104736483
N-ethyl-3-methyl-3-piperidin-1-yl-1-pyridin-3-ylpentan-2-amine
CID 104736506
N-ethyl-1,1,1-trifluoro-3-pyridin-3-ylpropan-2-amine
CID 66468597
3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-amine
CID 104736500
N-ethyl-1-(4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 79052048
1-(4-chlorophenyl)-N-ethyl-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 79052033
1-(2,6-dichlorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79051283
3-methyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79045291
3-ethyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-ol
CID 104736143
3-methyl-1-(4-methylphenyl)-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79051407
N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 79052180
1,1,1-trifluoro-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 66468598

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine?
The IUPAC name of N-ethyl-3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine (CID 104736482) is N-ethyl-3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine?
The canonical SMILES for N-ethyl-3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine is CCNC(Cc1cccnc1)C(C)(C)N1CCCC1.
What is the InChIKey of N-ethyl-3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine?
The InChIKey is JGNOSFAJBDQDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-18-15(12-14-8-7-9-17-13-14)16(2,3)19-10-5-6-11-19/h7-9,13,15,18H,4-6,10-12H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine?
N-ethyl-3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine is sourced from PubChem (CID 104736482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).