3-ethylpentan-2-ylidene-methyl-prop-1-enylazanium

C11H22N+ — CID 123811659

IUPAC3-ethylpentan-2-ylidene-methyl-prop-1-enylazanium
SMILESCC=C/[N+](C)=C(\C)C(CC)CC
InChIInChI=1S/C11H22N/c1-6-9-12(5)10(4)11(7-2)8-3/h6,9,11H,7-8H2,1-5H3/q+1/b9-6?,12-10+
InChIKeyYXCJLPCHRDARPZ-GEKSPHCTSA-N
MW168.30 g/mol
LogP3.06
Rot. Bonds4

About 3-ethylpentan-2-ylidene-methyl-prop-1-enylazanium

3-ethylpentan-2-ylidene-methyl-prop-1-enylazanium (PubChem CID 123811659) has the molecular formula C11H22N+ and a molecular weight of 168.30 g/mol. Its IUPAC name is 3-ethylpentan-2-ylidene-methyl-prop-1-enylazanium.

Molecular Properties

Compound Name3-ethylpentan-2-ylidene-methyl-prop-1-enylazanium
PubChem CID123811659
Molecular FormulaC11H22N+
Molecular Weight168.30 g/mol
Exact Mass168.17
IUPAC Name3-ethylpentan-2-ylidene-methyl-prop-1-enylazanium
SMILESCC=C/[N+](C)=C(\C)C(CC)CC
InChIInChI=1S/C11H22N/c1-6-9-12(5)10(4)11(7-2)8-3/h6,9,11H,7-8H2,1-5H3/q+1/b9-6?,12-10+
InChIKeyYXCJLPCHRDARPZ-GEKSPHCTSA-N
XLogP3.06
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-[(1E)-2-fluorobuta-1,3-dienyl]-3-methylpentan-2-imine
CID 123854276
3-methyl-N-[(Z)-prop-1-enyl]butan-2-imine
CID 89688931
2-methyl-N-[(Z)-prop-1-enyl]hexan-3-imine
CID 126516666
N-[(1Z)-buta-1,3-dienyl]-4-methylpentan-2-imine
CID 129029808
N-[(1Z)-buta-1,3-dienyl]-3-methylbutan-2-imine
CID 129119752
N-[(1Z)-buta-1,3-dienyl]-3-methylpentan-2-imine
CID 130238948
N-[(Z)-3-methylbut-1-enyl]pentan-2-imine
CID 134558576
3-methyl-N-[(Z)-3-methylbut-1-enyl]butan-2-imine
CID 141694435
ethane;3-methyl-N-[(Z)-prop-1-enyl]pentan-2-imine
CID 142062856
3-methyl-N-[(Z)-prop-1-enyl]pentan-2-imine
CID 142062857
ethane;3-methyl-N-[(Z)-prop-1-enyl]butan-2-imine
CID 142062896
ethane;N-[(Z)-prop-1-enyl]pentan-2-imine
CID 142100044

Frequently Asked Questions

What is the IUPAC name of 3-ethylpentan-2-ylidene-methyl-prop-1-enylazanium?
The IUPAC name of 3-ethylpentan-2-ylidene-methyl-prop-1-enylazanium (CID 123811659) is 3-ethylpentan-2-ylidene-methyl-prop-1-enylazanium.
What is the SMILES notation for 3-ethylpentan-2-ylidene-methyl-prop-1-enylazanium?
The canonical SMILES for 3-ethylpentan-2-ylidene-methyl-prop-1-enylazanium is CC=C/[N+](C)=C(\C)C(CC)CC.
What is the InChIKey of 3-ethylpentan-2-ylidene-methyl-prop-1-enylazanium?
The InChIKey is YXCJLPCHRDARPZ-GEKSPHCTSA-N. The full InChI is InChI=1S/C11H22N/c1-6-9-12(5)10(4)11(7-2)8-3/h6,9,11H,7-8H2,1-5H3/q+1/b9-6?,12-10+.
What are the key properties of 3-ethylpentan-2-ylidene-methyl-prop-1-enylazanium?
3-ethylpentan-2-ylidene-methyl-prop-1-enylazanium has a molecular weight of 168.30 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpentan-2-ylidene-methyl-prop-1-enylazanium is sourced from PubChem (CID 123811659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).