ethane;(Z)-2,2,4,4-tetramethyl-5-[(Z)-prop-1-enyl]iminooct-6-en-1-amine

C17H34N2 — CID 142076091

IUPACethane;(Z)-2,2,4,4-tetramethyl-5-[(Z)-prop-1-enyl]iminooct-6-en-1-amine
SMILESC/C=C\N=C(/C=C\C)C(C)(C)CC(C)(C)CN.CC
InChIInChI=1S/C15H28N2.C2H6/c1-7-9-13(17-10-8-2)15(5,6)11-14(3,4)12-16;1-2/h7-10H,11-12,16H2,1-6H3;1-2H3/b9-7-,10-8-,17-13+;
InChIKeyHMNASVYMHGABQU-ICUBMNSVSA-N
MW266.47 g/mol
LogP4.96
Rot. Bonds6

About ethane;(Z)-2,2,4,4-tetramethyl-5-[(Z)-prop-1-enyl]iminooct-6-en-1-amine

ethane;(Z)-2,2,4,4-tetramethyl-5-[(Z)-prop-1-enyl]iminooct-6-en-1-amine (PubChem CID 142076091) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is ethane;(Z)-2,2,4,4-tetramethyl-5-[(Z)-prop-1-enyl]iminooct-6-en-1-amine.

Molecular Properties

Compound Nameethane;(Z)-2,2,4,4-tetramethyl-5-[(Z)-prop-1-enyl]iminooct-6-en-1-amine
PubChem CID142076091
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Nameethane;(Z)-2,2,4,4-tetramethyl-5-[(Z)-prop-1-enyl]iminooct-6-en-1-amine
SMILESC/C=C\N=C(/C=C\C)C(C)(C)CC(C)(C)CN.CC
InChIInChI=1S/C15H28N2.C2H6/c1-7-9-13(17-10-8-2)15(5,6)11-14(3,4)12-16;1-2/h7-10H,11-12,16H2,1-6H3;1-2H3/b9-7-,10-8-,17-13+;
InChIKeyHMNASVYMHGABQU-ICUBMNSVSA-N
XLogP4.96
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;(Z)-2,2,4,4-tetramethyl-5-[(Z)-prop-1-enyl]iminooct-6-en-1-amine with MolForge

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Related Compounds

(E)-2-ethyl-3-[(Z)-3-methylnon-6-enyl]iminopent-1-en-1-amine
CID 130442162
(E)-N-[(Z)-2-ethanimidoyl-3,3-dimethylbut-1-enyl]dec-3-en-2-imine
CID 134559627
1-N-[(Z)-3,4,4-trimethylhex-1-enyl]cyclohex-3-ene-1,2-diimine
CID 138539128
(Z)-2-[[(Z)-2,2-dimethylhex-4-en-3-ylidene]amino]ethenamine
CID 138579711
1-(5-Butan-2-yl-5-methylazepin-2-yl)-2-methylbutan-2-amine
CID 142289214
(Z)-N-[(6Z,8Z)-deca-6,8-dienyl]-1-(3-methylcyclohexa-1,5-dien-1-yl)pent-2-en-1-imine;(1Z,3Z)-4-ethylhexa-1,3,5-trien-1-amine;molecular hydrogen
CID 143621274
ethane;(Z)-N-ethenyl-5-ethyl-5-methylhept-2-en-4-imine
CID 143802989
(Z)-2,4,4-trimethyl-5-[[(Z)-pent-1-enyl]iminomethyl]hept-5-en-2-amine
CID 144245593
3-[(5-Butan-2-yl-5-methylazepin-2-yl)methyl]pentan-3-amine
CID 167020091
(Z)-2,3,3,5,5-pentamethyl-6-[(Z)-prop-1-enyl]iminonon-7-en-2-amine
CID 169604474
5,5-dimethyl-3-methyliminocyclohexen-1-amine;ethane;ethene;(E)-4-propyldodec-3-ene
CID 170763887
(4Z)-1-methyl-4-[(Z)-3-methyl-1-(methylideneamino)pent-1-en-3-yl]-6,7-dihydro-2H-azonin-3-imine
CID 173854264

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-2,2,4,4-tetramethyl-5-[(Z)-prop-1-enyl]iminooct-6-en-1-amine?
The IUPAC name of ethane;(Z)-2,2,4,4-tetramethyl-5-[(Z)-prop-1-enyl]iminooct-6-en-1-amine (CID 142076091) is ethane;(Z)-2,2,4,4-tetramethyl-5-[(Z)-prop-1-enyl]iminooct-6-en-1-amine.
What is the SMILES notation for ethane;(Z)-2,2,4,4-tetramethyl-5-[(Z)-prop-1-enyl]iminooct-6-en-1-amine?
The canonical SMILES for ethane;(Z)-2,2,4,4-tetramethyl-5-[(Z)-prop-1-enyl]iminooct-6-en-1-amine is C/C=C\N=C(/C=C\C)C(C)(C)CC(C)(C)CN.CC.
What is the InChIKey of ethane;(Z)-2,2,4,4-tetramethyl-5-[(Z)-prop-1-enyl]iminooct-6-en-1-amine?
The InChIKey is HMNASVYMHGABQU-ICUBMNSVSA-N. The full InChI is InChI=1S/C15H28N2.C2H6/c1-7-9-13(17-10-8-2)15(5,6)11-14(3,4)12-16;1-2/h7-10H,11-12,16H2,1-6H3;1-2H3/b9-7-,10-8-,17-13+;.
What are the key properties of ethane;(Z)-2,2,4,4-tetramethyl-5-[(Z)-prop-1-enyl]iminooct-6-en-1-amine?
ethane;(Z)-2,2,4,4-tetramethyl-5-[(Z)-prop-1-enyl]iminooct-6-en-1-amine has a molecular weight of 266.47 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-2,2,4,4-tetramethyl-5-[(Z)-prop-1-enyl]iminooct-6-en-1-amine is sourced from PubChem (CID 142076091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).