N-hex-2-enylpropan-2-imine

C9H17N — CID 123559715

IUPACN-hex-2-enylpropan-2-imine
SMILESCCCC=CCN=C(C)C
InChIInChI=1S/C9H17N/c1-4-5-6-7-8-10-9(2)3/h6-7H,4-5,8H2,1-3H3
InChIKeyLCJZXGDDMYLMRT-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.82
Rot. Bonds4

About N-hex-2-enylpropan-2-imine

N-hex-2-enylpropan-2-imine (PubChem CID 123559715) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-hex-2-enylpropan-2-imine.

Molecular Properties

Compound NameN-hex-2-enylpropan-2-imine
PubChem CID123559715
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-hex-2-enylpropan-2-imine
SMILESCCCC=CCN=C(C)C
InChIInChI=1S/C9H17N/c1-4-5-6-7-8-10-9(2)3/h6-7H,4-5,8H2,1-3H3
InChIKeyLCJZXGDDMYLMRT-UHFFFAOYSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.82
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

(4Z,8E)-dodeca-4,8-diene
CID 12576906
(4E,8E)-dodeca-4,8-diene
CID 12576905
ethane;(E)-oct-4-ene
CID 142055407
N-(3-methylbut-2-enyl)propan-2-imine
CID 89289620
N-[(Z)-pent-1-enyl]propan-2-imine
CID 145467907
(4Z,7Z,10Z,13Z)-heptadeca-4,7,10,13-tetraene
CID 10473036
(E)-hex-2-en-1-ol;hydrochloride
CID 141009996
acetic acid;(Z)-hex-2-en-1-ol
CID 170839903
3-methylundeca-3,7-diene
CID 57021497
1-fluoropent-1-ene
CID 54278285
tricosa-4,19-diene
CID 142680711
hexadeca-4,12-diene
CID 71384995

Frequently Asked Questions

What is the IUPAC name of N-hex-2-enylpropan-2-imine?
The IUPAC name of N-hex-2-enylpropan-2-imine (CID 123559715) is N-hex-2-enylpropan-2-imine.
What is the SMILES notation for N-hex-2-enylpropan-2-imine?
The canonical SMILES for N-hex-2-enylpropan-2-imine is CCCC=CCN=C(C)C.
What is the InChIKey of N-hex-2-enylpropan-2-imine?
The InChIKey is LCJZXGDDMYLMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-4-5-6-7-8-10-9(2)3/h6-7H,4-5,8H2,1-3H3.
What are the key properties of N-hex-2-enylpropan-2-imine?
N-hex-2-enylpropan-2-imine has a molecular weight of 139.24 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-2-enylpropan-2-imine is sourced from PubChem (CID 123559715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).