(1Z)-3-N-[(2Z,8Z,10E)-10,12-difluoro-7-methyl-4-methylidenedodeca-2,8,10-trien-2-yl]-2-methylbuta-1,3-diene-1,3-diamine

C19H28F2N2 — CID 167081314

IUPAC(1Z)-3-N-[(2Z,8Z,10E)-10,12-difluoro-7-methyl-4-methylidenedodeca-2,8,10-trien-2-yl]-2-methylbuta-1,3-diene-1,3-diamine
SMILESC=C(/C=C(/C)NC(=C)/C(C)=C\N)CCC(C)/C=C\C(F)=C/CF
InChIInChI=1S/C19H28F2N2/c1-14(8-9-19(21)10-11-20)6-7-15(2)12-17(4)23-18(5)16(3)13-22/h8-10,12-14,23H,2,5-7,11,22H2,1,3-4H3/b9-8-,16-13-,17-12-,19-10+
InChIKeyBEARLVZLXLOOCC-ANPYECITSA-N
MW322.44 g/mol
LogP5.21
Rot. Bonds10

About (1Z)-3-N-[(2Z,8Z,10E)-10,12-difluoro-7-methyl-4-methylidenedodeca-2,8,10-trien-2-yl]-2-methylbuta-1,3-diene-1,3-diamine

(1Z)-3-N-[(2Z,8Z,10E)-10,12-difluoro-7-methyl-4-methylidenedodeca-2,8,10-trien-2-yl]-2-methylbuta-1,3-diene-1,3-diamine (PubChem CID 167081314) has the molecular formula C19H28F2N2 and a molecular weight of 322.44 g/mol. Its IUPAC name is (1Z)-3-N-[(2Z,8Z,10E)-10,12-difluoro-7-methyl-4-methylidenedodeca-2,8,10-trien-2-yl]-2-methylbuta-1,3-diene-1,3-diamine.

Molecular Properties

Compound Name(1Z)-3-N-[(2Z,8Z,10E)-10,12-difluoro-7-methyl-4-methylidenedodeca-2,8,10-trien-2-yl]-2-methylbuta-1,3-diene-1,3-diamine
PubChem CID167081314
Molecular FormulaC19H28F2N2
Molecular Weight322.44 g/mol
Exact Mass322.22
IUPAC Name(1Z)-3-N-[(2Z,8Z,10E)-10,12-difluoro-7-methyl-4-methylidenedodeca-2,8,10-trien-2-yl]-2-methylbuta-1,3-diene-1,3-diamine
SMILESC=C(/C=C(/C)NC(=C)/C(C)=C\N)CCC(C)/C=C\C(F)=C/CF
InChIInChI=1S/C19H28F2N2/c1-14(8-9-19(21)10-11-20)6-7-15(2)12-17(4)23-18(5)16(3)13-22/h8-10,12-14,23H,2,5-7,11,22H2,1,3-4H3/b9-8-,16-13-,17-12-,19-10+
InChIKeyBEARLVZLXLOOCC-ANPYECITSA-N
XLogP5.21
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.44
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1Z)-3-N-[(2Z,8Z,10E)-10,12-difluoro-7-methyl-4-methylidenedodeca-2,8,10-trien-2-yl]-2-methylbuta-1,3-diene-1,3-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1Z)-3-N-[(2Z,8Z,10E)-10,12-difluoro-7-methyl-4-methylidenedodeca-2,8,10-trien-2-yl]-2-methylbuta-1,3-diene-1,3-diamine?
The IUPAC name of (1Z)-3-N-[(2Z,8Z,10E)-10,12-difluoro-7-methyl-4-methylidenedodeca-2,8,10-trien-2-yl]-2-methylbuta-1,3-diene-1,3-diamine (CID 167081314) is (1Z)-3-N-[(2Z,8Z,10E)-10,12-difluoro-7-methyl-4-methylidenedodeca-2,8,10-trien-2-yl]-2-methylbuta-1,3-diene-1,3-diamine.
What is the SMILES notation for (1Z)-3-N-[(2Z,8Z,10E)-10,12-difluoro-7-methyl-4-methylidenedodeca-2,8,10-trien-2-yl]-2-methylbuta-1,3-diene-1,3-diamine?
The canonical SMILES for (1Z)-3-N-[(2Z,8Z,10E)-10,12-difluoro-7-methyl-4-methylidenedodeca-2,8,10-trien-2-yl]-2-methylbuta-1,3-diene-1,3-diamine is C=C(/C=C(/C)NC(=C)/C(C)=C\N)CCC(C)/C=C\C(F)=C/CF.
What is the InChIKey of (1Z)-3-N-[(2Z,8Z,10E)-10,12-difluoro-7-methyl-4-methylidenedodeca-2,8,10-trien-2-yl]-2-methylbuta-1,3-diene-1,3-diamine?
The InChIKey is BEARLVZLXLOOCC-ANPYECITSA-N. The full InChI is InChI=1S/C19H28F2N2/c1-14(8-9-19(21)10-11-20)6-7-15(2)12-17(4)23-18(5)16(3)13-22/h8-10,12-14,23H,2,5-7,11,22H2,1,3-4H3/b9-8-,16-13-,17-12-,19-10+.
What are the key properties of (1Z)-3-N-[(2Z,8Z,10E)-10,12-difluoro-7-methyl-4-methylidenedodeca-2,8,10-trien-2-yl]-2-methylbuta-1,3-diene-1,3-diamine?
(1Z)-3-N-[(2Z,8Z,10E)-10,12-difluoro-7-methyl-4-methylidenedodeca-2,8,10-trien-2-yl]-2-methylbuta-1,3-diene-1,3-diamine has a molecular weight of 322.44 g/mol, XLogP of 5.21, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3-N-[(2Z,8Z,10E)-10,12-difluoro-7-methyl-4-methylidenedodeca-2,8,10-trien-2-yl]-2-methylbuta-1,3-diene-1,3-diamine is sourced from PubChem (CID 167081314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).