4-(1,4-diazepan-1-yl)pyridin-3-amine

C10H16N4 — CID 89066011

IUPAC4-(1,4-diazepan-1-yl)pyridin-3-amine
SMILESNc1cnccc1N1CCCNCC1
InChIInChI=1S/C10H16N4/c11-9-8-13-4-2-10(9)14-6-1-3-12-5-7-14/h2,4,8,12H,1,3,5-7,11H2
InChIKeyPBUGFKCSDRSNSC-UHFFFAOYSA-N
MW192.27 g/mol
LogP0.46
Rot. Bonds1

About 4-(1,4-diazepan-1-yl)pyridin-3-amine

4-(1,4-diazepan-1-yl)pyridin-3-amine (PubChem CID 89066011) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 4-(1,4-diazepan-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name4-(1,4-diazepan-1-yl)pyridin-3-amine
PubChem CID89066011
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name4-(1,4-diazepan-1-yl)pyridin-3-amine
SMILESNc1cnccc1N1CCCNCC1
InChIInChI=1S/C10H16N4/c11-9-8-13-4-2-10(9)14-6-1-3-12-5-7-14/h2,4,8,12H,1,3,5-7,11H2
InChIKeyPBUGFKCSDRSNSC-UHFFFAOYSA-N
XLogP0.46
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(1,4-diazepan-1-yl)pyridin-3-amine 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 4-(1,4-diazepan-1-yl)pyridin-3-amine?
The IUPAC name of 4-(1,4-diazepan-1-yl)pyridin-3-amine (CID 89066011) is 4-(1,4-diazepan-1-yl)pyridin-3-amine.
What is the SMILES notation for 4-(1,4-diazepan-1-yl)pyridin-3-amine?
The canonical SMILES for 4-(1,4-diazepan-1-yl)pyridin-3-amine is Nc1cnccc1N1CCCNCC1.
What is the InChIKey of 4-(1,4-diazepan-1-yl)pyridin-3-amine?
The InChIKey is PBUGFKCSDRSNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c11-9-8-13-4-2-10(9)14-6-1-3-12-5-7-14/h2,4,8,12H,1,3,5-7,11H2.
What are the key properties of 4-(1,4-diazepan-1-yl)pyridin-3-amine?
4-(1,4-diazepan-1-yl)pyridin-3-amine has a molecular weight of 192.27 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-diazepan-1-yl)pyridin-3-amine is sourced from PubChem (CID 89066011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).