(2R)-2-N,2-N,3-trimethyl-1-N-(6-propan-2-ylpyridazin-3-yl)butane-1,2-diamine

C14H26N4 — CID 125440775

IUPAC(2R)-2-N,2-N,3-trimethyl-1-N-(6-propan-2-ylpyridazin-3-yl)butane-1,2-diamine
SMILESCC(C)c1ccc(NC[C@@H](C(C)C)N(C)C)nn1
InChIInChI=1S/C14H26N4/c1-10(2)12-7-8-14(17-16-12)15-9-13(11(3)4)18(5)6/h7-8,10-11,13H,9H2,1-6H3,(H,15,17)/t13-/m0/s1
InChIKeyMUUOUNKPSQMKRL-ZDUSSCGKSA-N
MW250.39 g/mol
LogP2.60
Rot. Bonds6

About (2R)-2-N,2-N,3-trimethyl-1-N-(6-propan-2-ylpyridazin-3-yl)butane-1,2-diamine

(2R)-2-N,2-N,3-trimethyl-1-N-(6-propan-2-ylpyridazin-3-yl)butane-1,2-diamine (PubChem CID 125440775) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is (2R)-2-N,2-N,3-trimethyl-1-N-(6-propan-2-ylpyridazin-3-yl)butane-1,2-diamine.

Molecular Properties

Compound Name(2R)-2-N,2-N,3-trimethyl-1-N-(6-propan-2-ylpyridazin-3-yl)butane-1,2-diamine
PubChem CID125440775
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name(2R)-2-N,2-N,3-trimethyl-1-N-(6-propan-2-ylpyridazin-3-yl)butane-1,2-diamine
SMILESCC(C)c1ccc(NC[C@@H](C(C)C)N(C)C)nn1
InChIInChI=1S/C14H26N4/c1-10(2)12-7-8-14(17-16-12)15-9-13(11(3)4)18(5)6/h7-8,10-11,13H,9H2,1-6H3,(H,15,17)/t13-/m0/s1
InChIKeyMUUOUNKPSQMKRL-ZDUSSCGKSA-N
XLogP2.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-N,2-N,3-trimethyl-1-N-(6-propan-2-ylpyridazin-3-yl)butane-1,2-diamine?
The IUPAC name of (2R)-2-N,2-N,3-trimethyl-1-N-(6-propan-2-ylpyridazin-3-yl)butane-1,2-diamine (CID 125440775) is (2R)-2-N,2-N,3-trimethyl-1-N-(6-propan-2-ylpyridazin-3-yl)butane-1,2-diamine.
What is the SMILES notation for (2R)-2-N,2-N,3-trimethyl-1-N-(6-propan-2-ylpyridazin-3-yl)butane-1,2-diamine?
The canonical SMILES for (2R)-2-N,2-N,3-trimethyl-1-N-(6-propan-2-ylpyridazin-3-yl)butane-1,2-diamine is CC(C)c1ccc(NC[C@@H](C(C)C)N(C)C)nn1.
What is the InChIKey of (2R)-2-N,2-N,3-trimethyl-1-N-(6-propan-2-ylpyridazin-3-yl)butane-1,2-diamine?
The InChIKey is MUUOUNKPSQMKRL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H26N4/c1-10(2)12-7-8-14(17-16-12)15-9-13(11(3)4)18(5)6/h7-8,10-11,13H,9H2,1-6H3,(H,15,17)/t13-/m0/s1.
What are the key properties of (2R)-2-N,2-N,3-trimethyl-1-N-(6-propan-2-ylpyridazin-3-yl)butane-1,2-diamine?
(2R)-2-N,2-N,3-trimethyl-1-N-(6-propan-2-ylpyridazin-3-yl)butane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N,2-N,3-trimethyl-1-N-(6-propan-2-ylpyridazin-3-yl)butane-1,2-diamine is sourced from PubChem (CID 125440775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).