ethane;(Z)-hex-2-ene;N-prop-2-enylmethanimine

C12H25N — CID 143743530

IUPACethane;(Z)-hex-2-ene;N-prop-2-enylmethanimine
SMILESC/C=C\CCC.C=CCN=C.CC
InChIInChI=1S/C6H12.C4H7N.C2H6/c1-3-5-6-4-2;1-3-4-5-2;1-2/h3,5H,4,6H2,1-2H3;3H,1-2,4H2;1-2H3/b5-3-;;
InChIKeyIKZQFTNUAVKPOX-ORIPCLHRSA-N
MW183.34 g/mol
LogP4.26
Rot. Bonds4

About ethane;(Z)-hex-2-ene;N-prop-2-enylmethanimine

ethane;(Z)-hex-2-ene;N-prop-2-enylmethanimine (PubChem CID 143743530) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is ethane;(Z)-hex-2-ene;N-prop-2-enylmethanimine.

Molecular Properties

Compound Nameethane;(Z)-hex-2-ene;N-prop-2-enylmethanimine
PubChem CID143743530
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Nameethane;(Z)-hex-2-ene;N-prop-2-enylmethanimine
SMILESC/C=C\CCC.C=CCN=C.CC
InChIInChI=1S/C6H12.C4H7N.C2H6/c1-3-5-6-4-2;1-3-4-5-2;1-2/h3,5H,4,6H2,1-2H3;3H,1-2,4H2;1-2H3/b5-3-;;
InChIKeyIKZQFTNUAVKPOX-ORIPCLHRSA-N
XLogP4.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 54.26
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-[(Z)-4-fluorohex-2-enyl]methanimine
CID 167132193
N-[(3E,7Z)-6-fluorodeca-3,7-dien-2-yl]methanimine
CID 142913317
(E)-N,N-dimethylhex-2-en-1-amine
CID 20603578
N-pent-3-en-2-ylmethanimine
CID 57104228
Hex-2-enyl(trimethyl)azanium
CID 57122035
N-propylhex-2-en-1-imine
CID 57162826
N,N-dimethylhex-2-en-1-amine
CID 73684672
Ethyl-methylidene-pent-2-enylazanium
CID 123154431
N-hepta-1,2,5-trienylmethanimine
CID 123189592
N-(5-methylhex-2-enyl)methanimine
CID 123304399
N-nona-3,5-dienylmethanimine
CID 123376600
N-(5-methylhept-2-enyl)methanimine
CID 123496528

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-hex-2-ene;N-prop-2-enylmethanimine?
The IUPAC name of ethane;(Z)-hex-2-ene;N-prop-2-enylmethanimine (CID 143743530) is ethane;(Z)-hex-2-ene;N-prop-2-enylmethanimine.
What is the SMILES notation for ethane;(Z)-hex-2-ene;N-prop-2-enylmethanimine?
The canonical SMILES for ethane;(Z)-hex-2-ene;N-prop-2-enylmethanimine is C/C=C\CCC.C=CCN=C.CC.
What is the InChIKey of ethane;(Z)-hex-2-ene;N-prop-2-enylmethanimine?
The InChIKey is IKZQFTNUAVKPOX-ORIPCLHRSA-N. The full InChI is InChI=1S/C6H12.C4H7N.C2H6/c1-3-5-6-4-2;1-3-4-5-2;1-2/h3,5H,4,6H2,1-2H3;3H,1-2,4H2;1-2H3/b5-3-;;.
What are the key properties of ethane;(Z)-hex-2-ene;N-prop-2-enylmethanimine?
ethane;(Z)-hex-2-ene;N-prop-2-enylmethanimine has a molecular weight of 183.34 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-hex-2-ene;N-prop-2-enylmethanimine is sourced from PubChem (CID 143743530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).