4-cyclopropyl-3H-pyridine-3,4-diamine

C8H13N3 — CID 154111024

IUPAC4-cyclopropyl-3H-pyridine-3,4-diamine
SMILESNC1C=NC=CC1(N)C1CC1
InChIInChI=1S/C8H13N3/c9-7-5-11-4-3-8(7,10)6-1-2-6/h3-7H,1-2,9-10H2
InChIKeySWHFSNTVQQGWTP-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.02
Rot. Bonds1

About 4-cyclopropyl-3H-pyridine-3,4-diamine

4-cyclopropyl-3H-pyridine-3,4-diamine (PubChem CID 154111024) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-cyclopropyl-3H-pyridine-3,4-diamine.

Molecular Properties

Compound Name4-cyclopropyl-3H-pyridine-3,4-diamine
PubChem CID154111024
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name4-cyclopropyl-3H-pyridine-3,4-diamine
SMILESNC1C=NC=CC1(N)C1CC1
InChIInChI=1S/C8H13N3/c9-7-5-11-4-3-8(7,10)6-1-2-6/h3-7H,1-2,9-10H2
InChIKeySWHFSNTVQQGWTP-UHFFFAOYSA-N
XLogP0.02
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3H-pyridine-3,4-diamine?
The IUPAC name of 4-cyclopropyl-3H-pyridine-3,4-diamine (CID 154111024) is 4-cyclopropyl-3H-pyridine-3,4-diamine.
What is the SMILES notation for 4-cyclopropyl-3H-pyridine-3,4-diamine?
The canonical SMILES for 4-cyclopropyl-3H-pyridine-3,4-diamine is NC1C=NC=CC1(N)C1CC1.
What is the InChIKey of 4-cyclopropyl-3H-pyridine-3,4-diamine?
The InChIKey is SWHFSNTVQQGWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c9-7-5-11-4-3-8(7,10)6-1-2-6/h3-7H,1-2,9-10H2.
What are the key properties of 4-cyclopropyl-3H-pyridine-3,4-diamine?
4-cyclopropyl-3H-pyridine-3,4-diamine has a molecular weight of 151.21 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3H-pyridine-3,4-diamine is sourced from PubChem (CID 154111024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).