N,3-dimethylbut-2-en-1-imine;propane

C9H19N — CID 163403492

IUPACN,3-dimethylbut-2-en-1-imine;propane
SMILESC/N=C/C=C(C)C.CCC
InChIInChI=1S/C6H11N.C3H8/c1-6(2)4-5-7-3;1-3-2/h4-5H,1-3H3;3H2,1-2H3/b7-5+;
InChIKeyFRZJYEGYNJDGHN-GZOLSCHFSA-N
MW141.26 g/mol
LogP3.07
Rot. Bonds1

About N,3-dimethylbut-2-en-1-imine;propane

N,3-dimethylbut-2-en-1-imine;propane (PubChem CID 163403492) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N,3-dimethylbut-2-en-1-imine;propane.

Molecular Properties

Compound NameN,3-dimethylbut-2-en-1-imine;propane
PubChem CID163403492
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN,3-dimethylbut-2-en-1-imine;propane
SMILESC/N=C/C=C(C)C.CCC
InChIInChI=1S/C6H11N.C3H8/c1-6(2)4-5-7-3;1-3-2/h4-5H,1-3H3;3H2,1-2H3/b7-5+;
InChIKeyFRZJYEGYNJDGHN-GZOLSCHFSA-N
XLogP3.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2Z,4E)-N,3,5-trimethylhepta-2,4-dien-1-imine
CID 170225424
(Z)-1-methyliminopent-2-en-3-amine
CID 129017150
(E)-4-[amino(ethyl)amino]-N,3-dimethylbut-2-en-1-imine
CID 129313336
(2E)-2-ethyl-N,5-dimethylhexa-2,4-dien-1-imine
CID 153465555
(Z)-N,3-dimethyl-N'-methylidenepent-2-ene-1,5-diimine
CID 163421984
(2Z)-N,3,4-trimethylpenta-2,4-dien-1-imine
CID 143116223
(2E,4E,6Z)-N,3,4-trimethylocta-2,4,6-trien-1-imine
CID 166983281
2-[[(E)-4-methyliminobut-2-en-2-yl]amino]ethanol
CID 90248428
(Z)-1-N-methyl-3-N-methylidenehex-2-ene-1,3-diimine
CID 174264899
(2Z)-3-hydrazinyl-N,5-dimethylhexa-2,4-dien-1-imine
CID 163245039
N-(2,2-dimethylpropyl)-3-methylbut-2-en-1-imine
CID 138622945
(2E)-3-chloro-N,4-dimethylpenta-2,4-dien-1-imine
CID 144929616

Frequently Asked Questions

What is the IUPAC name of N,3-dimethylbut-2-en-1-imine;propane?
The IUPAC name of N,3-dimethylbut-2-en-1-imine;propane (CID 163403492) is N,3-dimethylbut-2-en-1-imine;propane.
What is the SMILES notation for N,3-dimethylbut-2-en-1-imine;propane?
The canonical SMILES for N,3-dimethylbut-2-en-1-imine;propane is C/N=C/C=C(C)C.CCC.
What is the InChIKey of N,3-dimethylbut-2-en-1-imine;propane?
The InChIKey is FRZJYEGYNJDGHN-GZOLSCHFSA-N. The full InChI is InChI=1S/C6H11N.C3H8/c1-6(2)4-5-7-3;1-3-2/h4-5H,1-3H3;3H2,1-2H3/b7-5+;.
What are the key properties of N,3-dimethylbut-2-en-1-imine;propane?
N,3-dimethylbut-2-en-1-imine;propane has a molecular weight of 141.26 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylbut-2-en-1-imine;propane is sourced from PubChem (CID 163403492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).