propa-1,2-diene;propane;2-N,5-N,6-trimethyl-4-propan-2-ylpyridine-2,5-diamine

C17H31N3 — CID 153395875

IUPACpropa-1,2-diene;propane;2-N,5-N,6-trimethyl-4-propan-2-ylpyridine-2,5-diamine
SMILESC=C=C.CCC.CNc1cc(C(C)C)c(NC)c(C)n1
InChIInChI=1S/C11H19N3.C3H8.C3H4/c1-7(2)9-6-10(12-4)14-8(3)11(9)13-5;2*1-3-2/h6-7,13H,1-5H3,(H,12,14);3H2,1-2H3;1-2H2
InChIKeyWNOAJRPKOJYNPX-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.97
Rot. Bonds3

About propa-1,2-diene;propane;2-N,5-N,6-trimethyl-4-propan-2-ylpyridine-2,5-diamine

propa-1,2-diene;propane;2-N,5-N,6-trimethyl-4-propan-2-ylpyridine-2,5-diamine (PubChem CID 153395875) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is propa-1,2-diene;propane;2-N,5-N,6-trimethyl-4-propan-2-ylpyridine-2,5-diamine.

Molecular Properties

Compound Namepropa-1,2-diene;propane;2-N,5-N,6-trimethyl-4-propan-2-ylpyridine-2,5-diamine
PubChem CID153395875
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Namepropa-1,2-diene;propane;2-N,5-N,6-trimethyl-4-propan-2-ylpyridine-2,5-diamine
SMILESC=C=C.CCC.CNc1cc(C(C)C)c(NC)c(C)n1
InChIInChI=1S/C11H19N3.C3H8.C3H4/c1-7(2)9-6-10(12-4)14-8(3)11(9)13-5;2*1-3-2/h6-7,13H,1-5H3,(H,12,14);3H2,1-2H3;1-2H2
InChIKeyWNOAJRPKOJYNPX-UHFFFAOYSA-N
XLogP4.97
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propa-1,2-diene;propane;2-N,5-N,6-trimethyl-4-propan-2-ylpyridine-2,5-diamine?
The IUPAC name of propa-1,2-diene;propane;2-N,5-N,6-trimethyl-4-propan-2-ylpyridine-2,5-diamine (CID 153395875) is propa-1,2-diene;propane;2-N,5-N,6-trimethyl-4-propan-2-ylpyridine-2,5-diamine.
What is the SMILES notation for propa-1,2-diene;propane;2-N,5-N,6-trimethyl-4-propan-2-ylpyridine-2,5-diamine?
The canonical SMILES for propa-1,2-diene;propane;2-N,5-N,6-trimethyl-4-propan-2-ylpyridine-2,5-diamine is C=C=C.CCC.CNc1cc(C(C)C)c(NC)c(C)n1.
What is the InChIKey of propa-1,2-diene;propane;2-N,5-N,6-trimethyl-4-propan-2-ylpyridine-2,5-diamine?
The InChIKey is WNOAJRPKOJYNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3.C3H8.C3H4/c1-7(2)9-6-10(12-4)14-8(3)11(9)13-5;2*1-3-2/h6-7,13H,1-5H3,(H,12,14);3H2,1-2H3;1-2H2.
What are the key properties of propa-1,2-diene;propane;2-N,5-N,6-trimethyl-4-propan-2-ylpyridine-2,5-diamine?
propa-1,2-diene;propane;2-N,5-N,6-trimethyl-4-propan-2-ylpyridine-2,5-diamine has a molecular weight of 277.46 g/mol, XLogP of 4.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propa-1,2-diene;propane;2-N,5-N,6-trimethyl-4-propan-2-ylpyridine-2,5-diamine is sourced from PubChem (CID 153395875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).