N'-(1-cyclopropylpyrrolidin-3-yl)-2-ethoxybutane-1,4-diamine

C13H27N3O — CID 114227665

IUPACN'-(1-cyclopropylpyrrolidin-3-yl)-2-ethoxybutane-1,4-diamine
SMILESCCOC(CN)CCNC1CCN(C2CC2)C1
InChIInChI=1S/C13H27N3O/c1-2-17-13(9-14)5-7-15-11-6-8-16(10-11)12-3-4-12/h11-13,15H,2-10,14H2,1H3
InChIKeyYIPPIPWATLQXTL-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.57
Rot. Bonds8

About N'-(1-cyclopropylpyrrolidin-3-yl)-2-ethoxybutane-1,4-diamine

N'-(1-cyclopropylpyrrolidin-3-yl)-2-ethoxybutane-1,4-diamine (PubChem CID 114227665) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N'-(1-cyclopropylpyrrolidin-3-yl)-2-ethoxybutane-1,4-diamine.

Molecular Properties

Compound NameN'-(1-cyclopropylpyrrolidin-3-yl)-2-ethoxybutane-1,4-diamine
PubChem CID114227665
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN'-(1-cyclopropylpyrrolidin-3-yl)-2-ethoxybutane-1,4-diamine
SMILESCCOC(CN)CCNC1CCN(C2CC2)C1
InChIInChI=1S/C13H27N3O/c1-2-17-13(9-14)5-7-15-11-6-8-16(10-11)12-3-4-12/h11-13,15H,2-10,14H2,1H3
InChIKeyYIPPIPWATLQXTL-UHFFFAOYSA-N
XLogP0.57
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N'-(1-cyclopropylpyrrolidin-3-yl)-2-ethoxybutane-1,4-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'-(1-cyclopropylpyrrolidin-3-yl)-2-methylbutane-1,4-diamine
CID 81079562
N'-(1-cyclopropylpyrrolidin-3-yl)-2-propylpropane-1,3-diamine
CID 65232832
N'-(1-cyclopropylpyrrolidin-3-yl)-N-ethylpropane-1,3-diamine
CID 62835220
(3R)-1-cyclopropyl-N-[2-(2-methylpropoxy)ethyl]pyrrolidin-3-amine
CID 97230823
2-ethoxy-N'-(3-tricyclo[3.2.1.02,4]octanyl)butane-1,4-diamine
CID 114227674
2-[(1-cyclopropylpyrrolidin-3-yl)amino]ethyl carbamate
CID 83202820
N-ethyl-1-(4-methylcyclohexyl)pyrrolidin-3-amine
CID 43315476
3-[(1-cyclopropylpyrrolidin-3-yl)amino]propane-1-sulfonamide
CID 62982190
1-cyclopropyl-N-[3-(cyclopropylmethoxy)propyl]pyrrolidin-3-amine
CID 62980928
1-N-(1-cyclopropylpyrrolidin-3-yl)-5-methoxypentane-1,2-diamine
CID 81102513
2-ethoxy-4-(2-methylpiperidin-1-yl)butan-1-amine
CID 63069690
1-[(1-cyclopropylpyrrolidin-3-yl)amino]-3-methoxypropan-2-ol
CID 63930703

Frequently Asked Questions

What is the IUPAC name of N'-(1-cyclopropylpyrrolidin-3-yl)-2-ethoxybutane-1,4-diamine?
The IUPAC name of N'-(1-cyclopropylpyrrolidin-3-yl)-2-ethoxybutane-1,4-diamine (CID 114227665) is N'-(1-cyclopropylpyrrolidin-3-yl)-2-ethoxybutane-1,4-diamine.
What is the SMILES notation for N'-(1-cyclopropylpyrrolidin-3-yl)-2-ethoxybutane-1,4-diamine?
The canonical SMILES for N'-(1-cyclopropylpyrrolidin-3-yl)-2-ethoxybutane-1,4-diamine is CCOC(CN)CCNC1CCN(C2CC2)C1.
What is the InChIKey of N'-(1-cyclopropylpyrrolidin-3-yl)-2-ethoxybutane-1,4-diamine?
The InChIKey is YIPPIPWATLQXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-2-17-13(9-14)5-7-15-11-6-8-16(10-11)12-3-4-12/h11-13,15H,2-10,14H2,1H3.
What are the key properties of N'-(1-cyclopropylpyrrolidin-3-yl)-2-ethoxybutane-1,4-diamine?
N'-(1-cyclopropylpyrrolidin-3-yl)-2-ethoxybutane-1,4-diamine has a molecular weight of 241.38 g/mol, XLogP of 0.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-cyclopropylpyrrolidin-3-yl)-2-ethoxybutane-1,4-diamine is sourced from PubChem (CID 114227665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).