N-(cyclopropylmethyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine

C12H19N3 — CID 104822344

IUPACN-(cyclopropylmethyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)NCC2CC2)cn1
InChIInChI=1S/C12H19N3/c1-9-2-5-11(8-14-9)12(6-13)15-7-10-3-4-10/h2,5,8,10,12,15H,3-4,6-7,13H2,1H3
InChIKeySIRDFJFVFRURQY-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.39
Rot. Bonds5

About N-(cyclopropylmethyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine

N-(cyclopropylmethyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine (PubChem CID 104822344) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine
PubChem CID104822344
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC NameN-(cyclopropylmethyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)NCC2CC2)cn1
InChIInChI=1S/C12H19N3/c1-9-2-5-11(8-14-9)12(6-13)15-7-10-3-4-10/h2,5,8,10,12,15H,3-4,6-7,13H2,1H3
InChIKeySIRDFJFVFRURQY-UHFFFAOYSA-N
XLogP1.39
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(cyclopropylmethyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-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)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N-(cyclopropylmethyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine (CID 104822344) is N-(cyclopropylmethyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine is Cc1ccc(C(CN)NCC2CC2)cn1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine?
The InChIKey is SIRDFJFVFRURQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-9-2-5-11(8-14-9)12(6-13)15-7-10-3-4-10/h2,5,8,10,12,15H,3-4,6-7,13H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine?
N-(cyclopropylmethyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine has a molecular weight of 205.31 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 104822344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).