(Z)-1-N-methyl-1-N-[1-(2-methylhydrazinyl)propan-2-yl]-2-propan-2-ylbut-1-ene-1,3-diamine

C12H28N4 — CID 167243191

IUPAC(Z)-1-N-methyl-1-N-[1-(2-methylhydrazinyl)propan-2-yl]-2-propan-2-ylbut-1-ene-1,3-diamine
SMILESCNNCC(C)N(C)/C=C(/C(C)C)C(C)N
InChIInChI=1S/C12H28N4/c1-9(2)12(11(4)13)8-16(6)10(3)7-15-14-5/h8-11,14-15H,7,13H2,1-6H3/b12-8-
InChIKeyBDYKGDDQZNECQY-WQLSENKSSA-N
MW228.38 g/mol
LogP0.92
Rot. Bonds7

About (Z)-1-N-methyl-1-N-[1-(2-methylhydrazinyl)propan-2-yl]-2-propan-2-ylbut-1-ene-1,3-diamine

(Z)-1-N-methyl-1-N-[1-(2-methylhydrazinyl)propan-2-yl]-2-propan-2-ylbut-1-ene-1,3-diamine (PubChem CID 167243191) has the molecular formula C12H28N4 and a molecular weight of 228.38 g/mol. Its IUPAC name is (Z)-1-N-methyl-1-N-[1-(2-methylhydrazinyl)propan-2-yl]-2-propan-2-ylbut-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-1-N-methyl-1-N-[1-(2-methylhydrazinyl)propan-2-yl]-2-propan-2-ylbut-1-ene-1,3-diamine
PubChem CID167243191
Molecular FormulaC12H28N4
Molecular Weight228.38 g/mol
Exact Mass228.23
IUPAC Name(Z)-1-N-methyl-1-N-[1-(2-methylhydrazinyl)propan-2-yl]-2-propan-2-ylbut-1-ene-1,3-diamine
SMILESCNNCC(C)N(C)/C=C(/C(C)C)C(C)N
InChIInChI=1S/C12H28N4/c1-9(2)12(11(4)13)8-16(6)10(3)7-15-14-5/h8-11,14-15H,7,13H2,1-6H3/b12-8-
InChIKeyBDYKGDDQZNECQY-WQLSENKSSA-N
XLogP0.92
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-methyl-1-N-[1-(2-methylhydrazinyl)propan-2-yl]-2-propan-2-ylbut-1-ene-1,3-diamine?
The IUPAC name of (Z)-1-N-methyl-1-N-[1-(2-methylhydrazinyl)propan-2-yl]-2-propan-2-ylbut-1-ene-1,3-diamine (CID 167243191) is (Z)-1-N-methyl-1-N-[1-(2-methylhydrazinyl)propan-2-yl]-2-propan-2-ylbut-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-1-N-methyl-1-N-[1-(2-methylhydrazinyl)propan-2-yl]-2-propan-2-ylbut-1-ene-1,3-diamine?
The canonical SMILES for (Z)-1-N-methyl-1-N-[1-(2-methylhydrazinyl)propan-2-yl]-2-propan-2-ylbut-1-ene-1,3-diamine is CNNCC(C)N(C)/C=C(/C(C)C)C(C)N.
What is the InChIKey of (Z)-1-N-methyl-1-N-[1-(2-methylhydrazinyl)propan-2-yl]-2-propan-2-ylbut-1-ene-1,3-diamine?
The InChIKey is BDYKGDDQZNECQY-WQLSENKSSA-N. The full InChI is InChI=1S/C12H28N4/c1-9(2)12(11(4)13)8-16(6)10(3)7-15-14-5/h8-11,14-15H,7,13H2,1-6H3/b12-8-.
What are the key properties of (Z)-1-N-methyl-1-N-[1-(2-methylhydrazinyl)propan-2-yl]-2-propan-2-ylbut-1-ene-1,3-diamine?
(Z)-1-N-methyl-1-N-[1-(2-methylhydrazinyl)propan-2-yl]-2-propan-2-ylbut-1-ene-1,3-diamine has a molecular weight of 228.38 g/mol, XLogP of 0.92, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-methyl-1-N-[1-(2-methylhydrazinyl)propan-2-yl]-2-propan-2-ylbut-1-ene-1,3-diamine is sourced from PubChem (CID 167243191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).