2-methyl-N'-[(3E,5Z)-6,7,9-trimethyl-8-methylidene-4-[(Z)-prop-1-enyl]deca-1,3,5-trien-5-yl]butanimidamide

C22H36N2 — CID 138567426

IUPAC2-methyl-N'-[(3E,5Z)-6,7,9-trimethyl-8-methylidene-4-[(Z)-prop-1-enyl]deca-1,3,5-trien-5-yl]butanimidamide
SMILESC=C/C=C(\C=C/C)C(/N=C(\N)C(C)CC)=C(\C)C(C)C(=C)C(C)C
InChIInChI=1S/C22H36N2/c1-10-13-20(14-11-2)21(24-22(23)16(6)12-3)19(9)18(8)17(7)15(4)5/h10-11,13-16,18H,1,7,12H2,2-6,8-9H3,(H2,23,24)/b14-11-,20-13+,21-19-
InChIKeyFDYYGHLDKMPQRR-UTNHUYOESA-N
MW328.54 g/mol
LogP6.20
Rot. Bonds9

About 2-methyl-N'-[(3E,5Z)-6,7,9-trimethyl-8-methylidene-4-[(Z)-prop-1-enyl]deca-1,3,5-trien-5-yl]butanimidamide

2-methyl-N'-[(3E,5Z)-6,7,9-trimethyl-8-methylidene-4-[(Z)-prop-1-enyl]deca-1,3,5-trien-5-yl]butanimidamide (PubChem CID 138567426) has the molecular formula C22H36N2 and a molecular weight of 328.54 g/mol. Its IUPAC name is 2-methyl-N'-[(3E,5Z)-6,7,9-trimethyl-8-methylidene-4-[(Z)-prop-1-enyl]deca-1,3,5-trien-5-yl]butanimidamide.

Molecular Properties

Compound Name2-methyl-N'-[(3E,5Z)-6,7,9-trimethyl-8-methylidene-4-[(Z)-prop-1-enyl]deca-1,3,5-trien-5-yl]butanimidamide
PubChem CID138567426
Molecular FormulaC22H36N2
Molecular Weight328.54 g/mol
Exact Mass328.29
IUPAC Name2-methyl-N'-[(3E,5Z)-6,7,9-trimethyl-8-methylidene-4-[(Z)-prop-1-enyl]deca-1,3,5-trien-5-yl]butanimidamide
SMILESC=C/C=C(\C=C/C)C(/N=C(\N)C(C)CC)=C(\C)C(C)C(=C)C(C)C
InChIInChI=1S/C22H36N2/c1-10-13-20(14-11-2)21(24-22(23)16(6)12-3)19(9)18(8)17(7)15(4)5/h10-11,13-16,18H,1,7,12H2,2-6,8-9H3,(H2,23,24)/b14-11-,20-13+,21-19-
InChIKeyFDYYGHLDKMPQRR-UTNHUYOESA-N
XLogP6.20
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-methyl-N'-[(3E,5Z)-6,7,9-trimethyl-8-methylidene-4-[(Z)-prop-1-enyl]deca-1,3,5-trien-5-yl]butanimidamide with MolForge

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Related Compounds

(3Z,5E)-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 142147647
N'-ethenyl-2-methylbutanimidamide
CID 155258668
(Z)-5-methyl-4-methylidenehept-2-ene
CID 142042502
(1Z,3Z)-2-methyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine
CID 88576528
2,4-dimethyl-3-methylidenehexane
CID 90734956
5,6,7-trimethylnona-1,3,5-triene
CID 123607192
(3E,5Z,7R)-6,7-dimethylnona-1,3,5-trien-3-amine
CID 145244449
(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 142915962
4-ethenyl-5-ethylideneocta-1,3,6-triene
CID 123583886
(3E)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-amine
CID 134569652
ethane;(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine
CID 142253668
(3Z,5Z)-hepta-1,3,5-trien-4-amine
CID 171106725

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[(3E,5Z)-6,7,9-trimethyl-8-methylidene-4-[(Z)-prop-1-enyl]deca-1,3,5-trien-5-yl]butanimidamide?
The IUPAC name of 2-methyl-N'-[(3E,5Z)-6,7,9-trimethyl-8-methylidene-4-[(Z)-prop-1-enyl]deca-1,3,5-trien-5-yl]butanimidamide (CID 138567426) is 2-methyl-N'-[(3E,5Z)-6,7,9-trimethyl-8-methylidene-4-[(Z)-prop-1-enyl]deca-1,3,5-trien-5-yl]butanimidamide.
What is the SMILES notation for 2-methyl-N'-[(3E,5Z)-6,7,9-trimethyl-8-methylidene-4-[(Z)-prop-1-enyl]deca-1,3,5-trien-5-yl]butanimidamide?
The canonical SMILES for 2-methyl-N'-[(3E,5Z)-6,7,9-trimethyl-8-methylidene-4-[(Z)-prop-1-enyl]deca-1,3,5-trien-5-yl]butanimidamide is C=C/C=C(\C=C/C)C(/N=C(\N)C(C)CC)=C(\C)C(C)C(=C)C(C)C.
What is the InChIKey of 2-methyl-N'-[(3E,5Z)-6,7,9-trimethyl-8-methylidene-4-[(Z)-prop-1-enyl]deca-1,3,5-trien-5-yl]butanimidamide?
The InChIKey is FDYYGHLDKMPQRR-UTNHUYOESA-N. The full InChI is InChI=1S/C22H36N2/c1-10-13-20(14-11-2)21(24-22(23)16(6)12-3)19(9)18(8)17(7)15(4)5/h10-11,13-16,18H,1,7,12H2,2-6,8-9H3,(H2,23,24)/b14-11-,20-13+,21-19-.
What are the key properties of 2-methyl-N'-[(3E,5Z)-6,7,9-trimethyl-8-methylidene-4-[(Z)-prop-1-enyl]deca-1,3,5-trien-5-yl]butanimidamide?
2-methyl-N'-[(3E,5Z)-6,7,9-trimethyl-8-methylidene-4-[(Z)-prop-1-enyl]deca-1,3,5-trien-5-yl]butanimidamide has a molecular weight of 328.54 g/mol, XLogP of 6.20, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[(3E,5Z)-6,7,9-trimethyl-8-methylidene-4-[(Z)-prop-1-enyl]deca-1,3,5-trien-5-yl]butanimidamide is sourced from PubChem (CID 138567426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).