(Z)-2,2,3-trimethyl-5-methylidene-N-prop-1-en-2-ylnon-3-en-1-imine

C16H27N — CID 145299359

IUPAC(Z)-2,2,3-trimethyl-5-methylidene-N-prop-1-en-2-ylnon-3-en-1-imine
SMILESC=C(/C=C(/C)C(C)(C)/C=N/C(=C)C)CCCC
InChIInChI=1S/C16H27N/c1-8-9-10-14(4)11-15(5)16(6,7)12-17-13(2)3/h11-12H,2,4,8-10H2,1,3,5-7H3/b15-11-,17-12+
InChIKeyTUFOIWMQVWJRQW-AJGWWKNYSA-N
MW233.40 g/mol
LogP5.31
Rot. Bonds7

About (Z)-2,2,3-trimethyl-5-methylidene-N-prop-1-en-2-ylnon-3-en-1-imine

(Z)-2,2,3-trimethyl-5-methylidene-N-prop-1-en-2-ylnon-3-en-1-imine (PubChem CID 145299359) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is (Z)-2,2,3-trimethyl-5-methylidene-N-prop-1-en-2-ylnon-3-en-1-imine.

Molecular Properties

Compound Name(Z)-2,2,3-trimethyl-5-methylidene-N-prop-1-en-2-ylnon-3-en-1-imine
PubChem CID145299359
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name(Z)-2,2,3-trimethyl-5-methylidene-N-prop-1-en-2-ylnon-3-en-1-imine
SMILESC=C(/C=C(/C)C(C)(C)/C=N/C(=C)C)CCCC
InChIInChI=1S/C16H27N/c1-8-9-10-14(4)11-15(5)16(6,7)12-17-13(2)3/h11-12H,2,4,8-10H2,1,3,5-7H3/b15-11-,17-12+
InChIKeyTUFOIWMQVWJRQW-AJGWWKNYSA-N
XLogP5.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500233.40
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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3-methylidenetridec-1-ene
CID 3776253
2-methylhex-1-ene
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(E)-5-methylidenenon-3-ene
CID 173104879
N-tert-butylhept-1-en-2-amine
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(E)-4-methylideneundec-2-ene
CID 13425645
(3Z)-2-fluoro-5-methylidenedeca-1,3-diene
CID 143276668
(2Z,4Z)-3-ethyl-4-methyl-6-methylidenenona-2,4-diene
CID 171555067
ethane;2-methylhept-1-ene
CID 143682307
2-methyltetradec-1-ene
CID 521375
(E)-2-bromo-4-methylidenehept-2-ene
CID 139476034

Frequently Asked Questions

What is the IUPAC name of (Z)-2,2,3-trimethyl-5-methylidene-N-prop-1-en-2-ylnon-3-en-1-imine?
The IUPAC name of (Z)-2,2,3-trimethyl-5-methylidene-N-prop-1-en-2-ylnon-3-en-1-imine (CID 145299359) is (Z)-2,2,3-trimethyl-5-methylidene-N-prop-1-en-2-ylnon-3-en-1-imine.
What is the SMILES notation for (Z)-2,2,3-trimethyl-5-methylidene-N-prop-1-en-2-ylnon-3-en-1-imine?
The canonical SMILES for (Z)-2,2,3-trimethyl-5-methylidene-N-prop-1-en-2-ylnon-3-en-1-imine is C=C(/C=C(/C)C(C)(C)/C=N/C(=C)C)CCCC.
What is the InChIKey of (Z)-2,2,3-trimethyl-5-methylidene-N-prop-1-en-2-ylnon-3-en-1-imine?
The InChIKey is TUFOIWMQVWJRQW-AJGWWKNYSA-N. The full InChI is InChI=1S/C16H27N/c1-8-9-10-14(4)11-15(5)16(6,7)12-17-13(2)3/h11-12H,2,4,8-10H2,1,3,5-7H3/b15-11-,17-12+.
What are the key properties of (Z)-2,2,3-trimethyl-5-methylidene-N-prop-1-en-2-ylnon-3-en-1-imine?
(Z)-2,2,3-trimethyl-5-methylidene-N-prop-1-en-2-ylnon-3-en-1-imine has a molecular weight of 233.40 g/mol, XLogP of 5.31, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,2,3-trimethyl-5-methylidene-N-prop-1-en-2-ylnon-3-en-1-imine is sourced from PubChem (CID 145299359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).