3-N-[(E)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]but-1-enyl]-3-N-(4-methylpent-1-en-2-yl)-1-N,1-N-dipropylbut-3-ene-1,3-diamine

C26H41F3N4 — CID 166702782

IUPAC3-N-[(E)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]but-1-enyl]-3-N-(4-methylpent-1-en-2-yl)-1-N,1-N-dipropylbut-3-ene-1,3-diamine
SMILESC=C(CCN(CCC)CCC)N(/C=C(\CC)c1cnc(N)c(C(F)(F)F)c1)C(=C)CC(C)C
InChIInChI=1S/C26H41F3N4/c1-8-12-32(13-9-2)14-11-20(6)33(21(7)15-19(4)5)18-22(10-3)23-16-24(26(27,28)29)25(30)31-17-23/h16-19H,6-15H2,1-5H3,(H2,30,31)/b22-18+
InChIKeyUVUIDDHOWOVNNI-RELWKKBWSA-N
MW466.64 g/mol
LogP7.32
Rot. Bonds14

About 3-N-[(E)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]but-1-enyl]-3-N-(4-methylpent-1-en-2-yl)-1-N,1-N-dipropylbut-3-ene-1,3-diamine

3-N-[(E)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]but-1-enyl]-3-N-(4-methylpent-1-en-2-yl)-1-N,1-N-dipropylbut-3-ene-1,3-diamine (PubChem CID 166702782) has the molecular formula C26H41F3N4 and a molecular weight of 466.64 g/mol. Its IUPAC name is 3-N-[(E)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]but-1-enyl]-3-N-(4-methylpent-1-en-2-yl)-1-N,1-N-dipropylbut-3-ene-1,3-diamine.

Molecular Properties

Compound Name3-N-[(E)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]but-1-enyl]-3-N-(4-methylpent-1-en-2-yl)-1-N,1-N-dipropylbut-3-ene-1,3-diamine
PubChem CID166702782
Molecular FormulaC26H41F3N4
Molecular Weight466.64 g/mol
Exact Mass466.33
IUPAC Name3-N-[(E)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]but-1-enyl]-3-N-(4-methylpent-1-en-2-yl)-1-N,1-N-dipropylbut-3-ene-1,3-diamine
SMILESC=C(CCN(CCC)CCC)N(/C=C(\CC)c1cnc(N)c(C(F)(F)F)c1)C(=C)CC(C)C
InChIInChI=1S/C26H41F3N4/c1-8-12-32(13-9-2)14-11-20(6)33(21(7)15-19(4)5)18-22(10-3)23-16-24(26(27,28)29)25(30)31-17-23/h16-19H,6-15H2,1-5H3,(H2,30,31)/b22-18+
InChIKeyUVUIDDHOWOVNNI-RELWKKBWSA-N
XLogP7.32
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.64
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-N-[(E)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]but-1-enyl]-3-N-(4-methylpent-1-en-2-yl)-1-N,1-N-dipropylbut-3-ene-1,3-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-N-[(E)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]but-1-enyl]-3-N-(4-methylpent-1-en-2-yl)-1-N,1-N-dipropylbut-3-ene-1,3-diamine?
The IUPAC name of 3-N-[(E)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]but-1-enyl]-3-N-(4-methylpent-1-en-2-yl)-1-N,1-N-dipropylbut-3-ene-1,3-diamine (CID 166702782) is 3-N-[(E)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]but-1-enyl]-3-N-(4-methylpent-1-en-2-yl)-1-N,1-N-dipropylbut-3-ene-1,3-diamine.
What is the SMILES notation for 3-N-[(E)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]but-1-enyl]-3-N-(4-methylpent-1-en-2-yl)-1-N,1-N-dipropylbut-3-ene-1,3-diamine?
The canonical SMILES for 3-N-[(E)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]but-1-enyl]-3-N-(4-methylpent-1-en-2-yl)-1-N,1-N-dipropylbut-3-ene-1,3-diamine is C=C(CCN(CCC)CCC)N(/C=C(\CC)c1cnc(N)c(C(F)(F)F)c1)C(=C)CC(C)C.
What is the InChIKey of 3-N-[(E)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]but-1-enyl]-3-N-(4-methylpent-1-en-2-yl)-1-N,1-N-dipropylbut-3-ene-1,3-diamine?
The InChIKey is UVUIDDHOWOVNNI-RELWKKBWSA-N. The full InChI is InChI=1S/C26H41F3N4/c1-8-12-32(13-9-2)14-11-20(6)33(21(7)15-19(4)5)18-22(10-3)23-16-24(26(27,28)29)25(30)31-17-23/h16-19H,6-15H2,1-5H3,(H2,30,31)/b22-18+.
What are the key properties of 3-N-[(E)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]but-1-enyl]-3-N-(4-methylpent-1-en-2-yl)-1-N,1-N-dipropylbut-3-ene-1,3-diamine?
3-N-[(E)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]but-1-enyl]-3-N-(4-methylpent-1-en-2-yl)-1-N,1-N-dipropylbut-3-ene-1,3-diamine has a molecular weight of 466.64 g/mol, XLogP of 7.32, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(E)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]but-1-enyl]-3-N-(4-methylpent-1-en-2-yl)-1-N,1-N-dipropylbut-3-ene-1,3-diamine is sourced from PubChem (CID 166702782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).