N'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine

C14H22FN3 — CID 83126650

IUPACN'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine
SMILESCCN(CCC(N)c1ccc(F)cn1)CC1CC1
InChIInChI=1S/C14H22FN3/c1-2-18(10-11-3-4-11)8-7-13(16)14-6-5-12(15)9-17-14/h5-6,9,11,13H,2-4,7-8,10,16H2,1H3
InChIKeyPETSRTXZHRWINI-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.34
Rot. Bonds7

About N'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine

N'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine (PubChem CID 83126650) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine
PubChem CID83126650
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC NameN'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine
SMILESCCN(CCC(N)c1ccc(F)cn1)CC1CC1
InChIInChI=1S/C14H22FN3/c1-2-18(10-11-3-4-11)8-7-13(16)14-6-5-12(15)9-17-14/h5-6,9,11,13H,2-4,7-8,10,16H2,1H3
InChIKeyPETSRTXZHRWINI-UHFFFAOYSA-N
XLogP2.34
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine 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'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine?
The IUPAC name of N'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine (CID 83126650) is N'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine.
What is the SMILES notation for N'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine?
The canonical SMILES for N'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine is CCN(CCC(N)c1ccc(F)cn1)CC1CC1.
What is the InChIKey of N'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine?
The InChIKey is PETSRTXZHRWINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-2-18(10-11-3-4-11)8-7-13(16)14-6-5-12(15)9-17-14/h5-6,9,11,13H,2-4,7-8,10,16H2,1H3.
What are the key properties of N'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine?
N'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine has a molecular weight of 251.35 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine is sourced from PubChem (CID 83126650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).