4-(cyclopropylmethyl)-3H-pyridine-3,4-diamine

C9H15N3 — CID 142997134

IUPAC4-(cyclopropylmethyl)-3H-pyridine-3,4-diamine
SMILESNC1C=NC=CC1(N)CC1CC1
InChIInChI=1S/C9H15N3/c10-8-6-12-4-3-9(8,11)5-7-1-2-7/h3-4,6-8H,1-2,5,10-11H2
InChIKeyPTHZHWOSYSGNQD-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.41
Rot. Bonds2

About 4-(cyclopropylmethyl)-3H-pyridine-3,4-diamine

4-(cyclopropylmethyl)-3H-pyridine-3,4-diamine (PubChem CID 142997134) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-3H-pyridine-3,4-diamine.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-3H-pyridine-3,4-diamine
PubChem CID142997134
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name4-(cyclopropylmethyl)-3H-pyridine-3,4-diamine
SMILESNC1C=NC=CC1(N)CC1CC1
InChIInChI=1S/C9H15N3/c10-8-6-12-4-3-9(8,11)5-7-1-2-7/h3-4,6-8H,1-2,5,10-11H2
InChIKeyPTHZHWOSYSGNQD-UHFFFAOYSA-N
XLogP0.41
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-3H-pyridine-3,4-diamine?
The IUPAC name of 4-(cyclopropylmethyl)-3H-pyridine-3,4-diamine (CID 142997134) is 4-(cyclopropylmethyl)-3H-pyridine-3,4-diamine.
What is the SMILES notation for 4-(cyclopropylmethyl)-3H-pyridine-3,4-diamine?
The canonical SMILES for 4-(cyclopropylmethyl)-3H-pyridine-3,4-diamine is NC1C=NC=CC1(N)CC1CC1.
What is the InChIKey of 4-(cyclopropylmethyl)-3H-pyridine-3,4-diamine?
The InChIKey is PTHZHWOSYSGNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c10-8-6-12-4-3-9(8,11)5-7-1-2-7/h3-4,6-8H,1-2,5,10-11H2.
What are the key properties of 4-(cyclopropylmethyl)-3H-pyridine-3,4-diamine?
4-(cyclopropylmethyl)-3H-pyridine-3,4-diamine has a molecular weight of 165.24 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-3H-pyridine-3,4-diamine is sourced from PubChem (CID 142997134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).