2,4,4-trimethyl-N-[(Z)-prop-1-enyl]pent-1-en-3-imine

C11H19N — CID 156522568

IUPAC2,4,4-trimethyl-N-[(Z)-prop-1-enyl]pent-1-en-3-imine
SMILESC=C(C)/C(=N\C=C/C)C(C)(C)C
InChIInChI=1S/C11H19N/c1-7-8-12-10(9(2)3)11(4,5)6/h7-8H,2H2,1,3-6H3/b8-7-,12-10+
InChIKeyKITAVZQXTPRPTR-QOUMFGDESA-N
MW165.28 g/mol
LogP3.58
Rot. Bonds2

About 2,4,4-trimethyl-N-[(Z)-prop-1-enyl]pent-1-en-3-imine

2,4,4-trimethyl-N-[(Z)-prop-1-enyl]pent-1-en-3-imine (PubChem CID 156522568) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-[(Z)-prop-1-enyl]pent-1-en-3-imine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-[(Z)-prop-1-enyl]pent-1-en-3-imine
PubChem CID156522568
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2,4,4-trimethyl-N-[(Z)-prop-1-enyl]pent-1-en-3-imine
SMILESC=C(C)/C(=N\C=C/C)C(C)(C)C
InChIInChI=1S/C11H19N/c1-7-8-12-10(9(2)3)11(4,5)6/h7-8H,2H2,1,3-6H3/b8-7-,12-10+
InChIKeyKITAVZQXTPRPTR-QOUMFGDESA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.58
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

fluoromethane;methyl 2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidate
CID 163278180
2,2-dimethyl-N-[(Z)-prop-1-enyl]pentan-3-imine
CID 155014494
1,1,1-trifluoro-N-[(Z)-prop-1-enyl]propan-2-imine
CID 143380031
3-N,4-N-bis(ethenyl)-2,2,5,5-tetramethylhexane-3,4-diimine
CID 146577227
trimethyl-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]phosphanium
CID 170257532
3-N,4-N-bis[(Z)-prop-1-enyl]hexa-1,5-diene-3,4-diimine
CID 146342540
(Z)-N-[(E)-prop-1-enyl]pent-3-en-2-imine
CID 143911032
2-[(1-amino-2-methyl-1-prop-1-enyliminopropan-2-yl)diazenyl]-2-methyl-N'-prop-1-enylpropanimidamide
CID 154121266
3,4-dimethyl-N-[(Z)-prop-1-enyl]pent-3-en-2-imine
CID 143339603
3-(1,1-difluoroethyl)-2-methylpenta-1,3-diene
CID 123321601
methyl N-[(E)-prop-1-enyl]ethanimidate
CID 142215629
N-[(Z)-prop-1-enyl]butan-2-imine
CID 11126202

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-[(Z)-prop-1-enyl]pent-1-en-3-imine?
The IUPAC name of 2,4,4-trimethyl-N-[(Z)-prop-1-enyl]pent-1-en-3-imine (CID 156522568) is 2,4,4-trimethyl-N-[(Z)-prop-1-enyl]pent-1-en-3-imine.
What is the SMILES notation for 2,4,4-trimethyl-N-[(Z)-prop-1-enyl]pent-1-en-3-imine?
The canonical SMILES for 2,4,4-trimethyl-N-[(Z)-prop-1-enyl]pent-1-en-3-imine is C=C(C)/C(=N\C=C/C)C(C)(C)C.
What is the InChIKey of 2,4,4-trimethyl-N-[(Z)-prop-1-enyl]pent-1-en-3-imine?
The InChIKey is KITAVZQXTPRPTR-QOUMFGDESA-N. The full InChI is InChI=1S/C11H19N/c1-7-8-12-10(9(2)3)11(4,5)6/h7-8H,2H2,1,3-6H3/b8-7-,12-10+.
What are the key properties of 2,4,4-trimethyl-N-[(Z)-prop-1-enyl]pent-1-en-3-imine?
2,4,4-trimethyl-N-[(Z)-prop-1-enyl]pent-1-en-3-imine has a molecular weight of 165.28 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-[(Z)-prop-1-enyl]pent-1-en-3-imine is sourced from PubChem (CID 156522568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).