6-N-(cyclopropylmethyl)-6-N-propylpyridine-2,6-diamine

C12H19N3 — CID 80647313

IUPAC6-N-(cyclopropylmethyl)-6-N-propylpyridine-2,6-diamine
SMILESCCCN(CC1CC1)c1cccc(N)n1
InChIInChI=1S/C12H19N3/c1-2-8-15(9-10-6-7-10)12-5-3-4-11(13)14-12/h3-5,10H,2,6-9H2,1H3,(H2,13,14)
InChIKeyGKGMIHXKIYXEJP-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.29
Rot. Bonds5

About 6-N-(cyclopropylmethyl)-6-N-propylpyridine-2,6-diamine

6-N-(cyclopropylmethyl)-6-N-propylpyridine-2,6-diamine (PubChem CID 80647313) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 6-N-(cyclopropylmethyl)-6-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(cyclopropylmethyl)-6-N-propylpyridine-2,6-diamine
PubChem CID80647313
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name6-N-(cyclopropylmethyl)-6-N-propylpyridine-2,6-diamine
SMILESCCCN(CC1CC1)c1cccc(N)n1
InChIInChI=1S/C12H19N3/c1-2-8-15(9-10-6-7-10)12-5-3-4-11(13)14-12/h3-5,10H,2,6-9H2,1H3,(H2,13,14)
InChIKeyGKGMIHXKIYXEJP-UHFFFAOYSA-N
XLogP2.29
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-N-(cyclopropylmethyl)-6-N-propylpyridine-2,6-diamine?
The IUPAC name of 6-N-(cyclopropylmethyl)-6-N-propylpyridine-2,6-diamine (CID 80647313) is 6-N-(cyclopropylmethyl)-6-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-(cyclopropylmethyl)-6-N-propylpyridine-2,6-diamine?
The canonical SMILES for 6-N-(cyclopropylmethyl)-6-N-propylpyridine-2,6-diamine is CCCN(CC1CC1)c1cccc(N)n1.
What is the InChIKey of 6-N-(cyclopropylmethyl)-6-N-propylpyridine-2,6-diamine?
The InChIKey is GKGMIHXKIYXEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-8-15(9-10-6-7-10)12-5-3-4-11(13)14-12/h3-5,10H,2,6-9H2,1H3,(H2,13,14).
What are the key properties of 6-N-(cyclopropylmethyl)-6-N-propylpyridine-2,6-diamine?
6-N-(cyclopropylmethyl)-6-N-propylpyridine-2,6-diamine has a molecular weight of 205.31 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(cyclopropylmethyl)-6-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 80647313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).