1-N-(1-cyclopropylpyrrolidin-3-yl)-5-methoxypentane-1,2-diamine

C13H27N3O — CID 81102513

IUPAC1-N-(1-cyclopropylpyrrolidin-3-yl)-5-methoxypentane-1,2-diamine
SMILESCOCCCC(N)CNC1CCN(C2CC2)C1
InChIInChI=1S/C13H27N3O/c1-17-8-2-3-11(14)9-15-12-6-7-16(10-12)13-4-5-13/h11-13,15H,2-10,14H2,1H3
InChIKeyZXQNQLHAOSDJDU-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.57
Rot. Bonds8

About 1-N-(1-cyclopropylpyrrolidin-3-yl)-5-methoxypentane-1,2-diamine

1-N-(1-cyclopropylpyrrolidin-3-yl)-5-methoxypentane-1,2-diamine (PubChem CID 81102513) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-N-(1-cyclopropylpyrrolidin-3-yl)-5-methoxypentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(1-cyclopropylpyrrolidin-3-yl)-5-methoxypentane-1,2-diamine
PubChem CID81102513
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-N-(1-cyclopropylpyrrolidin-3-yl)-5-methoxypentane-1,2-diamine
SMILESCOCCCC(N)CNC1CCN(C2CC2)C1
InChIInChI=1S/C13H27N3O/c1-17-8-2-3-11(14)9-15-12-6-7-16(10-12)13-4-5-13/h11-13,15H,2-10,14H2,1H3
InChIKeyZXQNQLHAOSDJDU-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-N-(1-cyclopropylpyrrolidin-3-yl)-5-methoxypentane-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

1-[(1-cyclopropylpyrrolidin-3-yl)amino]-3-methoxypropan-2-ol
CID 63930703
1-cyclopropyl-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidin-3-amine
CID 65047874
N'-(1-cyclopropylpyrrolidin-3-yl)-2-propylpropane-1,3-diamine
CID 65232832
N-[2-(azetidin-3-yl)propyl]-1-cyclopropylpyrrolidin-3-amine
CID 116679823
(3R)-1-cyclopropyl-N-[2-(2-methylpropoxy)ethyl]pyrrolidin-3-amine
CID 97230823
N'-(1-cyclopropylpyrrolidin-3-yl)-2-methylbutane-1,4-diamine
CID 81079562
1-cyclopentyl-N-(2-methylbutyl)pyrrolidin-3-amine
CID 115887460
1-cyclopropyl-N-(2-methyl-3-piperidin-1-ylpropyl)pyrrolidin-3-amine
CID 62982179
1-cyclopropyl-N-methoxypyrrolidin-3-amine
CID 82706402
2-[(1-cyclopropylpyrrolidin-3-yl)amino]ethyl carbamate
CID 83202820
1-cyclopropyl-N-[3-(cyclopropylmethoxy)propyl]pyrrolidin-3-amine
CID 62980928
N'-(1-cyclopropylpyrrolidin-3-yl)-2-ethoxybutane-1,4-diamine
CID 114227665

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-cyclopropylpyrrolidin-3-yl)-5-methoxypentane-1,2-diamine?
The IUPAC name of 1-N-(1-cyclopropylpyrrolidin-3-yl)-5-methoxypentane-1,2-diamine (CID 81102513) is 1-N-(1-cyclopropylpyrrolidin-3-yl)-5-methoxypentane-1,2-diamine.
What is the SMILES notation for 1-N-(1-cyclopropylpyrrolidin-3-yl)-5-methoxypentane-1,2-diamine?
The canonical SMILES for 1-N-(1-cyclopropylpyrrolidin-3-yl)-5-methoxypentane-1,2-diamine is COCCCC(N)CNC1CCN(C2CC2)C1.
What is the InChIKey of 1-N-(1-cyclopropylpyrrolidin-3-yl)-5-methoxypentane-1,2-diamine?
The InChIKey is ZXQNQLHAOSDJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-17-8-2-3-11(14)9-15-12-6-7-16(10-12)13-4-5-13/h11-13,15H,2-10,14H2,1H3.
What are the key properties of 1-N-(1-cyclopropylpyrrolidin-3-yl)-5-methoxypentane-1,2-diamine?
1-N-(1-cyclopropylpyrrolidin-3-yl)-5-methoxypentane-1,2-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 1-N-(1-cyclopropylpyrrolidin-3-yl)-5-methoxypentane-1,2-diamine is sourced from PubChem (CID 81102513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).