N'-[2-(4-fluoropyrrolidin-2-yl)ethyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine

C12H26FN3 — CID 176600987

IUPACN'-[2-(4-fluoropyrrolidin-2-yl)ethyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCNCCN(CCC1CC(F)CN1)C(C)C
InChIInChI=1S/C12H26FN3/c1-10(2)16(7-5-14-3)6-4-12-8-11(13)9-15-12/h10-12,14-15H,4-9H2,1-3H3
InChIKeyDSMAARGCFANUFY-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.01
Rot. Bonds7

About N'-[2-(4-fluoropyrrolidin-2-yl)ethyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine

N'-[2-(4-fluoropyrrolidin-2-yl)ethyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 176600987) has the molecular formula C12H26FN3 and a molecular weight of 231.36 g/mol. Its IUPAC name is N'-[2-(4-fluoropyrrolidin-2-yl)ethyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(4-fluoropyrrolidin-2-yl)ethyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID176600987
Molecular FormulaC12H26FN3
Molecular Weight231.36 g/mol
Exact Mass231.21
IUPAC NameN'-[2-(4-fluoropyrrolidin-2-yl)ethyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCNCCN(CCC1CC(F)CN1)C(C)C
InChIInChI=1S/C12H26FN3/c1-10(2)16(7-5-14-3)6-4-12-8-11(13)9-15-12/h10-12,14-15H,4-9H2,1-3H3
InChIKeyDSMAARGCFANUFY-UHFFFAOYSA-N
XLogP1.01
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N'-[2-(4-fluoropyrrolidin-2-yl)ethyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine 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-methyl-N'-[2-(4-methylpyrrolidin-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 176601704
N-ethyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-2-amine
CID 176601984
N-methyl-N'-[2-[2-(methylamino)ethyl-propan-2-ylamino]ethyl]ethane-1,2-diamine
CID 176601082
N'-[(4,4-dimethylpyrrolidin-2-yl)methyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 176601232
(4R)-4-fluoro-2-(propan-2-yloxymethyl)pyrrolidine
CID 169009465
[(2S,4R)-4-fluoropyrrolidin-2-yl]methanamine
CID 167726327
5-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidine-3-thione
CID 176601793
N-[2-[(2R,4R)-4-fluoropyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 126615731
5-[2-[tert-butyl(propan-2-yl)amino]ethyl]pyrrolidin-3-ol
CID 176601408
N-methyl-2-(4-propan-2-ylpiperidin-2-yl)ethanamine
CID 170616684
(2S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 176638921
(2S,4S)-4-fluoro-2-propan-2-ylpyrrolidine
CID 59459275

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluoropyrrolidin-2-yl)ethyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-[2-(4-fluoropyrrolidin-2-yl)ethyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine (CID 176600987) is N'-[2-(4-fluoropyrrolidin-2-yl)ethyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(4-fluoropyrrolidin-2-yl)ethyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[2-(4-fluoropyrrolidin-2-yl)ethyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine is CNCCN(CCC1CC(F)CN1)C(C)C.
What is the InChIKey of N'-[2-(4-fluoropyrrolidin-2-yl)ethyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is DSMAARGCFANUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26FN3/c1-10(2)16(7-5-14-3)6-4-12-8-11(13)9-15-12/h10-12,14-15H,4-9H2,1-3H3.
What are the key properties of N'-[2-(4-fluoropyrrolidin-2-yl)ethyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine?
N'-[2-(4-fluoropyrrolidin-2-yl)ethyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 231.36 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluoropyrrolidin-2-yl)ethyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 176600987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).