N-[2-(1,4-diazepan-1-yl)ethyl]-N-propylcyclopropanamine

C13H27N3 — CID 62832391

IUPACN-[2-(1,4-diazepan-1-yl)ethyl]-N-propylcyclopropanamine
SMILESCCCN(CCN1CCCNCC1)C1CC1
InChIInChI=1S/C13H27N3/c1-2-8-16(13-4-5-13)12-11-15-9-3-6-14-7-10-15/h13-14H,2-12H2,1H3
InChIKeyGGCADMBKLAQTJZ-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.16
Rot. Bonds6

About N-[2-(1,4-diazepan-1-yl)ethyl]-N-propylcyclopropanamine

N-[2-(1,4-diazepan-1-yl)ethyl]-N-propylcyclopropanamine (PubChem CID 62832391) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N-[2-(1,4-diazepan-1-yl)ethyl]-N-propylcyclopropanamine.

Molecular Properties

Compound NameN-[2-(1,4-diazepan-1-yl)ethyl]-N-propylcyclopropanamine
PubChem CID62832391
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN-[2-(1,4-diazepan-1-yl)ethyl]-N-propylcyclopropanamine
SMILESCCCN(CCN1CCCNCC1)C1CC1
InChIInChI=1S/C13H27N3/c1-2-8-16(13-4-5-13)12-11-15-9-3-6-14-7-10-15/h13-14H,2-12H2,1H3
InChIKeyGGCADMBKLAQTJZ-UHFFFAOYSA-N
XLogP1.16
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(1,4-diazepan-1-yl)ethyl]-N-propylcyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,4-diazepan-1-yl)ethyl]-N-propylcyclopropanamine?
The IUPAC name of N-[2-(1,4-diazepan-1-yl)ethyl]-N-propylcyclopropanamine (CID 62832391) is N-[2-(1,4-diazepan-1-yl)ethyl]-N-propylcyclopropanamine.
What is the SMILES notation for N-[2-(1,4-diazepan-1-yl)ethyl]-N-propylcyclopropanamine?
The canonical SMILES for N-[2-(1,4-diazepan-1-yl)ethyl]-N-propylcyclopropanamine is CCCN(CCN1CCCNCC1)C1CC1.
What is the InChIKey of N-[2-(1,4-diazepan-1-yl)ethyl]-N-propylcyclopropanamine?
The InChIKey is GGCADMBKLAQTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-2-8-16(13-4-5-13)12-11-15-9-3-6-14-7-10-15/h13-14H,2-12H2,1H3.
What are the key properties of N-[2-(1,4-diazepan-1-yl)ethyl]-N-propylcyclopropanamine?
N-[2-(1,4-diazepan-1-yl)ethyl]-N-propylcyclopropanamine has a molecular weight of 225.38 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,4-diazepan-1-yl)ethyl]-N-propylcyclopropanamine is sourced from PubChem (CID 62832391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).