(Z)-3-methyl-1-N-propan-2-yl-1-N'-[(3E,5Z)-8,8,8-trifluoro-3-methylocta-3,5-dien-2-yl]but-1-ene-1,1-diamine

C17H29F3N2 — CID 146583215

IUPAC(Z)-3-methyl-1-N-propan-2-yl-1-N'-[(3E,5Z)-8,8,8-trifluoro-3-methylocta-3,5-dien-2-yl]but-1-ene-1,1-diamine
SMILESC/C(=C\C=C/CC(F)(F)F)C(C)N/C(=C\C(C)C)NC(C)C
InChIInChI=1S/C17H29F3N2/c1-12(2)11-16(21-13(3)4)22-15(6)14(5)9-7-8-10-17(18,19)20/h7-9,11-13,15,21-22H,10H2,1-6H3/b8-7-,14-9+,16-11-
InChIKeyFDPPARNEOOHEIE-POSLUEIKSA-N
MW318.43 g/mol
LogP4.91
Rot. Bonds8

About (Z)-3-methyl-1-N-propan-2-yl-1-N'-[(3E,5Z)-8,8,8-trifluoro-3-methylocta-3,5-dien-2-yl]but-1-ene-1,1-diamine

(Z)-3-methyl-1-N-propan-2-yl-1-N'-[(3E,5Z)-8,8,8-trifluoro-3-methylocta-3,5-dien-2-yl]but-1-ene-1,1-diamine (PubChem CID 146583215) has the molecular formula C17H29F3N2 and a molecular weight of 318.43 g/mol. Its IUPAC name is (Z)-3-methyl-1-N-propan-2-yl-1-N'-[(3E,5Z)-8,8,8-trifluoro-3-methylocta-3,5-dien-2-yl]but-1-ene-1,1-diamine.

Molecular Properties

Compound Name(Z)-3-methyl-1-N-propan-2-yl-1-N'-[(3E,5Z)-8,8,8-trifluoro-3-methylocta-3,5-dien-2-yl]but-1-ene-1,1-diamine
PubChem CID146583215
Molecular FormulaC17H29F3N2
Molecular Weight318.43 g/mol
Exact Mass318.23
IUPAC Name(Z)-3-methyl-1-N-propan-2-yl-1-N'-[(3E,5Z)-8,8,8-trifluoro-3-methylocta-3,5-dien-2-yl]but-1-ene-1,1-diamine
SMILESC/C(=C\C=C/CC(F)(F)F)C(C)N/C(=C\C(C)C)NC(C)C
InChIInChI=1S/C17H29F3N2/c1-12(2)11-16(21-13(3)4)22-15(6)14(5)9-7-8-10-17(18,19)20/h7-9,11-13,15,21-22H,10H2,1-6H3/b8-7-,14-9+,16-11-
InChIKeyFDPPARNEOOHEIE-POSLUEIKSA-N
XLogP4.91
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-1-N-propan-2-yl-1-N'-[(3E,5Z)-8,8,8-trifluoro-3-methylocta-3,5-dien-2-yl]but-1-ene-1,1-diamine?
The IUPAC name of (Z)-3-methyl-1-N-propan-2-yl-1-N'-[(3E,5Z)-8,8,8-trifluoro-3-methylocta-3,5-dien-2-yl]but-1-ene-1,1-diamine (CID 146583215) is (Z)-3-methyl-1-N-propan-2-yl-1-N'-[(3E,5Z)-8,8,8-trifluoro-3-methylocta-3,5-dien-2-yl]but-1-ene-1,1-diamine.
What is the SMILES notation for (Z)-3-methyl-1-N-propan-2-yl-1-N'-[(3E,5Z)-8,8,8-trifluoro-3-methylocta-3,5-dien-2-yl]but-1-ene-1,1-diamine?
The canonical SMILES for (Z)-3-methyl-1-N-propan-2-yl-1-N'-[(3E,5Z)-8,8,8-trifluoro-3-methylocta-3,5-dien-2-yl]but-1-ene-1,1-diamine is C/C(=C\C=C/CC(F)(F)F)C(C)N/C(=C\C(C)C)NC(C)C.
What is the InChIKey of (Z)-3-methyl-1-N-propan-2-yl-1-N'-[(3E,5Z)-8,8,8-trifluoro-3-methylocta-3,5-dien-2-yl]but-1-ene-1,1-diamine?
The InChIKey is FDPPARNEOOHEIE-POSLUEIKSA-N. The full InChI is InChI=1S/C17H29F3N2/c1-12(2)11-16(21-13(3)4)22-15(6)14(5)9-7-8-10-17(18,19)20/h7-9,11-13,15,21-22H,10H2,1-6H3/b8-7-,14-9+,16-11-.
What are the key properties of (Z)-3-methyl-1-N-propan-2-yl-1-N'-[(3E,5Z)-8,8,8-trifluoro-3-methylocta-3,5-dien-2-yl]but-1-ene-1,1-diamine?
(Z)-3-methyl-1-N-propan-2-yl-1-N'-[(3E,5Z)-8,8,8-trifluoro-3-methylocta-3,5-dien-2-yl]but-1-ene-1,1-diamine has a molecular weight of 318.43 g/mol, XLogP of 4.91, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-1-N-propan-2-yl-1-N'-[(3E,5Z)-8,8,8-trifluoro-3-methylocta-3,5-dien-2-yl]but-1-ene-1,1-diamine is sourced from PubChem (CID 146583215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).