4-(2-amino-3,3-dicyclopropylpropyl)pyridin-2-amine

C14H21N3 — CID 112743681

IUPAC4-(2-amino-3,3-dicyclopropylpropyl)pyridin-2-amine
SMILESNc1cc(CC(N)C(C2CC2)C2CC2)ccn1
InChIInChI=1S/C14H21N3/c15-12(7-9-5-6-17-13(16)8-9)14(10-1-2-10)11-3-4-11/h5-6,8,10-12,14H,1-4,7,15H2,(H2,16,17)
InChIKeyFHTMQGCKQZKHPZ-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.97
Rot. Bonds5

About 4-(2-amino-3,3-dicyclopropylpropyl)pyridin-2-amine

4-(2-amino-3,3-dicyclopropylpropyl)pyridin-2-amine (PubChem CID 112743681) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-(2-amino-3,3-dicyclopropylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(2-amino-3,3-dicyclopropylpropyl)pyridin-2-amine
PubChem CID112743681
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name4-(2-amino-3,3-dicyclopropylpropyl)pyridin-2-amine
SMILESNc1cc(CC(N)C(C2CC2)C2CC2)ccn1
InChIInChI=1S/C14H21N3/c15-12(7-9-5-6-17-13(16)8-9)14(10-1-2-10)11-3-4-11/h5-6,8,10-12,14H,1-4,7,15H2,(H2,16,17)
InChIKeyFHTMQGCKQZKHPZ-UHFFFAOYSA-N
XLogP1.97
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3,3-dicyclopropylpropyl)pyridin-2-amine?
The IUPAC name of 4-(2-amino-3,3-dicyclopropylpropyl)pyridin-2-amine (CID 112743681) is 4-(2-amino-3,3-dicyclopropylpropyl)pyridin-2-amine.
What is the SMILES notation for 4-(2-amino-3,3-dicyclopropylpropyl)pyridin-2-amine?
The canonical SMILES for 4-(2-amino-3,3-dicyclopropylpropyl)pyridin-2-amine is Nc1cc(CC(N)C(C2CC2)C2CC2)ccn1.
What is the InChIKey of 4-(2-amino-3,3-dicyclopropylpropyl)pyridin-2-amine?
The InChIKey is FHTMQGCKQZKHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c15-12(7-9-5-6-17-13(16)8-9)14(10-1-2-10)11-3-4-11/h5-6,8,10-12,14H,1-4,7,15H2,(H2,16,17).
What are the key properties of 4-(2-amino-3,3-dicyclopropylpropyl)pyridin-2-amine?
4-(2-amino-3,3-dicyclopropylpropyl)pyridin-2-amine has a molecular weight of 231.34 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3,3-dicyclopropylpropyl)pyridin-2-amine is sourced from PubChem (CID 112743681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).