ethane;N-(2-methylpent-4-enyl)methanimine

C11H25N — CID 144707823

IUPACethane;N-(2-methylpent-4-enyl)methanimine
SMILESC=CCC(C)CN=C.CC.CC
InChIInChI=1S/C7H13N.2C2H6/c1-4-5-7(2)6-8-3;2*1-2/h4,7H,1,3,5-6H2,2H3;2*1-2H3
InChIKeyXHAPICPYARKSNI-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.95
Rot. Bonds4

About ethane;N-(2-methylpent-4-enyl)methanimine

ethane;N-(2-methylpent-4-enyl)methanimine (PubChem CID 144707823) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is ethane;N-(2-methylpent-4-enyl)methanimine.

Molecular Properties

Compound Nameethane;N-(2-methylpent-4-enyl)methanimine
PubChem CID144707823
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Nameethane;N-(2-methylpent-4-enyl)methanimine
SMILESC=CCC(C)CN=C.CC.CC
InChIInChI=1S/C7H13N.2C2H6/c1-4-5-7(2)6-8-3;2*1-2/h4,7H,1,3,5-6H2,2H3;2*1-2H3
InChIKeyXHAPICPYARKSNI-UHFFFAOYSA-N
XLogP3.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethyl-2-methylbut-3-enyl)methanimine
CID 22946736
N-(2-ethylpent-3-enyl)methanimine
CID 90982818
Ethyl-methylidene-(3-methylpent-4-enyl)azanium
CID 123195480
N-(2-methylbutyl)hex-5-en-1-imine
CID 123382083
N-(2-ethylhept-4-enyl)methanimine
CID 123472192
N-(3-methylhex-5-enyl)methanimine
CID 123500890
N-(2-ethylpent-4-enyl)methanimine
CID 123799673
N-(3-methylocta-5,6-dienyl)methanimine
CID 123805064
N-(3-methylpent-4-enyl)methanimine
CID 123931186
N-(4-methylhepta-1,2,6-trien-3-yl)methanimine
CID 129060280
ethane;N-(2-methylpent-4-enyl)propan-1-imine
CID 143371441
ethane;N-[(1Z)-4-methylhexa-1,5-dienyl]methanimine
CID 144370586

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methylpent-4-enyl)methanimine?
The IUPAC name of ethane;N-(2-methylpent-4-enyl)methanimine (CID 144707823) is ethane;N-(2-methylpent-4-enyl)methanimine.
What is the SMILES notation for ethane;N-(2-methylpent-4-enyl)methanimine?
The canonical SMILES for ethane;N-(2-methylpent-4-enyl)methanimine is C=CCC(C)CN=C.CC.CC.
What is the InChIKey of ethane;N-(2-methylpent-4-enyl)methanimine?
The InChIKey is XHAPICPYARKSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.2C2H6/c1-4-5-7(2)6-8-3;2*1-2/h4,7H,1,3,5-6H2,2H3;2*1-2H3.
What are the key properties of ethane;N-(2-methylpent-4-enyl)methanimine?
ethane;N-(2-methylpent-4-enyl)methanimine has a molecular weight of 171.33 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methylpent-4-enyl)methanimine is sourced from PubChem (CID 144707823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).