ethane;(Z)-N-methylbut-2-en-1-imine;propane

C12H29N — CID 142207114

IUPACethane;(Z)-N-methylbut-2-en-1-imine;propane
SMILESC/C=C\C=N\C.CC.CC.CCC
InChIInChI=1S/C5H9N.C3H8.2C2H6/c1-3-4-5-6-2;1-3-2;2*1-2/h3-5H,1-2H3;3H2,1-2H3;2*1-2H3/b4-3-,6-5+;;;
InChIKeyYTNBNFAJKBJUKK-YCTVIKNQSA-N
MW187.37 g/mol
LogP4.73
Rot. Bonds1

About ethane;(Z)-N-methylbut-2-en-1-imine;propane

ethane;(Z)-N-methylbut-2-en-1-imine;propane (PubChem CID 142207114) has the molecular formula C12H29N and a molecular weight of 187.37 g/mol. Its IUPAC name is ethane;(Z)-N-methylbut-2-en-1-imine;propane.

Molecular Properties

Compound Nameethane;(Z)-N-methylbut-2-en-1-imine;propane
PubChem CID142207114
Molecular FormulaC12H29N
Molecular Weight187.37 g/mol
Exact Mass187.23
IUPAC Nameethane;(Z)-N-methylbut-2-en-1-imine;propane
SMILESC/C=C\C=N\C.CC.CC.CCC
InChIInChI=1S/C5H9N.C3H8.2C2H6/c1-3-4-5-6-2;1-3-2;2*1-2/h3-5H,1-2H3;3H2,1-2H3;2*1-2H3/b4-3-,6-5+;;;
InChIKeyYTNBNFAJKBJUKK-YCTVIKNQSA-N
XLogP4.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.37
LogP ≤ 54.73
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

N-tert-butyl-3-methylbut-2-en-1-imine
CID 2733563
(E)-N-tert-butylbut-2-en-1-imine
CID 5702557
Mefcfysnjkhelm-snawjcmrsa-
CID 13354352
(Z)-N-tert-butylbut-2-en-1-imine
CID 5356232
(E)-N-prop-2-enylbut-2-en-1-imine
CID 15326645
(1E)-N-Methylprop-2-en-1-imine
CID 15361483
2-Aza-2,4,6-heptatriene
CID 59945193
(E)-5-Azahepta-2,4-diene
CID 5463161
(2E,4E,6E,8E,10E)-N-butyldodeca-2,4,6,8,10-pentaen-1-imine
CID 6440149
(Z)-N-(fluoromethyl)but-2-en-1-imine
CID 154033399
But-2-enylidene-tert-butyl-amine
CID 243520
N-[(1E,2Z)-but-2-en-1-ylidene]-N'-[(2E)-but-2-en-1-ylidene]butane-1,4-diamine
CID 49866444

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-methylbut-2-en-1-imine;propane?
The IUPAC name of ethane;(Z)-N-methylbut-2-en-1-imine;propane (CID 142207114) is ethane;(Z)-N-methylbut-2-en-1-imine;propane.
What is the SMILES notation for ethane;(Z)-N-methylbut-2-en-1-imine;propane?
The canonical SMILES for ethane;(Z)-N-methylbut-2-en-1-imine;propane is C/C=C\C=N\C.CC.CC.CCC.
What is the InChIKey of ethane;(Z)-N-methylbut-2-en-1-imine;propane?
The InChIKey is YTNBNFAJKBJUKK-YCTVIKNQSA-N. The full InChI is InChI=1S/C5H9N.C3H8.2C2H6/c1-3-4-5-6-2;1-3-2;2*1-2/h3-5H,1-2H3;3H2,1-2H3;2*1-2H3/b4-3-,6-5+;;;.
What are the key properties of ethane;(Z)-N-methylbut-2-en-1-imine;propane?
ethane;(Z)-N-methylbut-2-en-1-imine;propane has a molecular weight of 187.37 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-methylbut-2-en-1-imine;propane is sourced from PubChem (CID 142207114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).