N-[(2Z)-penta-2,4-dien-2-yl]methanimine;propane

C9H17N — CID 171626628

IUPACN-[(2Z)-penta-2,4-dien-2-yl]methanimine;propane
SMILESC=C/C=C(/C)N=C.CCC
InChIInChI=1S/C6H9N.C3H8/c1-4-5-6(2)7-3;1-3-2/h4-5H,1,3H2,2H3;3H2,1-2H3/b6-5-;
InChIKeyKYFKVKWUFSDGIF-YSMBQZINSA-N
MW139.24 g/mol
LogP3.19
Rot. Bonds2

About N-[(2Z)-penta-2,4-dien-2-yl]methanimine;propane

N-[(2Z)-penta-2,4-dien-2-yl]methanimine;propane (PubChem CID 171626628) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-[(2Z)-penta-2,4-dien-2-yl]methanimine;propane.

Molecular Properties

Compound NameN-[(2Z)-penta-2,4-dien-2-yl]methanimine;propane
PubChem CID171626628
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-[(2Z)-penta-2,4-dien-2-yl]methanimine;propane
SMILESC=C/C=C(/C)N=C.CCC
InChIInChI=1S/C6H9N.C3H8/c1-4-5-6(2)7-3;1-3-2/h4-5H,1,3H2,2H3;3H2,1-2H3/b6-5-;
InChIKeyKYFKVKWUFSDGIF-YSMBQZINSA-N
XLogP3.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-penta-2,4-dien-2-yl]methanimine;propane?
The IUPAC name of N-[(2Z)-penta-2,4-dien-2-yl]methanimine;propane (CID 171626628) is N-[(2Z)-penta-2,4-dien-2-yl]methanimine;propane.
What is the SMILES notation for N-[(2Z)-penta-2,4-dien-2-yl]methanimine;propane?
The canonical SMILES for N-[(2Z)-penta-2,4-dien-2-yl]methanimine;propane is C=C/C=C(/C)N=C.CCC.
What is the InChIKey of N-[(2Z)-penta-2,4-dien-2-yl]methanimine;propane?
The InChIKey is KYFKVKWUFSDGIF-YSMBQZINSA-N. The full InChI is InChI=1S/C6H9N.C3H8/c1-4-5-6(2)7-3;1-3-2/h4-5H,1,3H2,2H3;3H2,1-2H3/b6-5-;.
What are the key properties of N-[(2Z)-penta-2,4-dien-2-yl]methanimine;propane?
N-[(2Z)-penta-2,4-dien-2-yl]methanimine;propane has a molecular weight of 139.24 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-penta-2,4-dien-2-yl]methanimine;propane is sourced from PubChem (CID 171626628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).