ethane;(Z)-N,4,4-trimethylpent-2-en-1-imine

C10H21N — CID 145365374

IUPACethane;(Z)-N,4,4-trimethylpent-2-en-1-imine
SMILESC/N=C/C=C\C(C)(C)C.CC
InChIInChI=1S/C8H15N.C2H6/c1-8(2,3)6-5-7-9-4;1-2/h5-7H,1-4H3;1-2H3/b6-5-,9-7+;
InChIKeySSOCKHHLRCWNOQ-HMERWLGPSA-N
MW155.28 g/mol
LogP3.32
Rot. Bonds1

About ethane;(Z)-N,4,4-trimethylpent-2-en-1-imine

ethane;(Z)-N,4,4-trimethylpent-2-en-1-imine (PubChem CID 145365374) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is ethane;(Z)-N,4,4-trimethylpent-2-en-1-imine.

Molecular Properties

Compound Nameethane;(Z)-N,4,4-trimethylpent-2-en-1-imine
PubChem CID145365374
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Nameethane;(Z)-N,4,4-trimethylpent-2-en-1-imine
SMILESC/N=C/C=C\C(C)(C)C.CC
InChIInChI=1S/C8H15N.C2H6/c1-8(2,3)6-5-7-9-4;1-2/h5-7H,1-4H3;1-2H3/b6-5-,9-7+;
InChIKeySSOCKHHLRCWNOQ-HMERWLGPSA-N
XLogP3.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E,5E,7E,9E,11E,13E,15E,17E)-2,2,19,19-tetramethylicosa-3,5,7,9,11,13,15,17-octaene
CID 11782262
(E)-4,4-dimethyl-N-[(Z)-prop-1-enyl]pent-2-en-1-imine
CID 135188940
N-methylhepta-2,4,6-trien-1-imine
CID 54148857
(Z)-3-methyl-3-[(Z)-3-methyliminoprop-1-enyl]hept-4-en-2-one
CID 156741442
(2Z,4E)-4-tert-butyl-N-methylhexa-2,4-dien-1-imine
CID 167182965
cyclohexane;(2Z)-N-methylpenta-2,4-dien-1-imine
CID 144794255
(2E)-6,6-dimethylhepta-2,4-dien-1-ol
CID 154163380
2,2-dimethylpropane;(Z)-2,2,5,5-tetramethylhex-3-ene
CID 162128993
(Z)-N-methyl-3-methylsulfanylprop-2-en-1-imine
CID 88945658
(2Z,4Z)-N-methylhexa-2,4-dien-1-imine
CID 88859437
(2E,4E,6E)-8,8-dimethylnona-2,4,6-trienal
CID 15208834
(2E,4E,6E,8E)-10,10-dimethylundeca-2,4,6,8-tetraenal
CID 11194828

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N,4,4-trimethylpent-2-en-1-imine?
The IUPAC name of ethane;(Z)-N,4,4-trimethylpent-2-en-1-imine (CID 145365374) is ethane;(Z)-N,4,4-trimethylpent-2-en-1-imine.
What is the SMILES notation for ethane;(Z)-N,4,4-trimethylpent-2-en-1-imine?
The canonical SMILES for ethane;(Z)-N,4,4-trimethylpent-2-en-1-imine is C/N=C/C=C\C(C)(C)C.CC.
What is the InChIKey of ethane;(Z)-N,4,4-trimethylpent-2-en-1-imine?
The InChIKey is SSOCKHHLRCWNOQ-HMERWLGPSA-N. The full InChI is InChI=1S/C8H15N.C2H6/c1-8(2,3)6-5-7-9-4;1-2/h5-7H,1-4H3;1-2H3/b6-5-,9-7+;.
What are the key properties of ethane;(Z)-N,4,4-trimethylpent-2-en-1-imine?
ethane;(Z)-N,4,4-trimethylpent-2-en-1-imine has a molecular weight of 155.28 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N,4,4-trimethylpent-2-en-1-imine is sourced from PubChem (CID 145365374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).