(4Z,6Z)-N-(2,2-difluoropropyl)-7-methyl-3-methylidene-6-(3-methylpyrrolidin-1-yl)nona-1,4,6-trien-2-amine

C19H30F2N2 — CID 155001776

IUPAC(4Z,6Z)-N-(2,2-difluoropropyl)-7-methyl-3-methylidene-6-(3-methylpyrrolidin-1-yl)nona-1,4,6-trien-2-amine
SMILESC=C(/C=C\C(=C(/C)CC)N1CCC(C)C1)C(=C)NCC(C)(F)F
InChIInChI=1S/C19H30F2N2/c1-7-15(3)18(23-11-10-14(2)12-23)9-8-16(4)17(5)22-13-19(6,20)21/h8-9,14,22H,4-5,7,10-13H2,1-3,6H3/b9-8-,18-15-
InChIKeyCNBPYSZMRMFZNM-FVFMRWSDSA-N
MW324.46 g/mol
LogP4.88
Rot. Bonds8

About (4Z,6Z)-N-(2,2-difluoropropyl)-7-methyl-3-methylidene-6-(3-methylpyrrolidin-1-yl)nona-1,4,6-trien-2-amine

(4Z,6Z)-N-(2,2-difluoropropyl)-7-methyl-3-methylidene-6-(3-methylpyrrolidin-1-yl)nona-1,4,6-trien-2-amine (PubChem CID 155001776) has the molecular formula C19H30F2N2 and a molecular weight of 324.46 g/mol. Its IUPAC name is (4Z,6Z)-N-(2,2-difluoropropyl)-7-methyl-3-methylidene-6-(3-methylpyrrolidin-1-yl)nona-1,4,6-trien-2-amine.

Molecular Properties

Compound Name(4Z,6Z)-N-(2,2-difluoropropyl)-7-methyl-3-methylidene-6-(3-methylpyrrolidin-1-yl)nona-1,4,6-trien-2-amine
PubChem CID155001776
Molecular FormulaC19H30F2N2
Molecular Weight324.46 g/mol
Exact Mass324.24
IUPAC Name(4Z,6Z)-N-(2,2-difluoropropyl)-7-methyl-3-methylidene-6-(3-methylpyrrolidin-1-yl)nona-1,4,6-trien-2-amine
SMILESC=C(/C=C\C(=C(/C)CC)N1CCC(C)C1)C(=C)NCC(C)(F)F
InChIInChI=1S/C19H30F2N2/c1-7-15(3)18(23-11-10-14(2)12-23)9-8-16(4)17(5)22-13-19(6,20)21/h8-9,14,22H,4-5,7,10-13H2,1-3,6H3/b9-8-,18-15-
InChIKeyCNBPYSZMRMFZNM-FVFMRWSDSA-N
XLogP4.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 54.88
H-Bond Donors ≤ 51
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 (4Z,6Z)-N-(2,2-difluoropropyl)-7-methyl-3-methylidene-6-(3-methylpyrrolidin-1-yl)nona-1,4,6-trien-2-amine?
The IUPAC name of (4Z,6Z)-N-(2,2-difluoropropyl)-7-methyl-3-methylidene-6-(3-methylpyrrolidin-1-yl)nona-1,4,6-trien-2-amine (CID 155001776) is (4Z,6Z)-N-(2,2-difluoropropyl)-7-methyl-3-methylidene-6-(3-methylpyrrolidin-1-yl)nona-1,4,6-trien-2-amine.
What is the SMILES notation for (4Z,6Z)-N-(2,2-difluoropropyl)-7-methyl-3-methylidene-6-(3-methylpyrrolidin-1-yl)nona-1,4,6-trien-2-amine?
The canonical SMILES for (4Z,6Z)-N-(2,2-difluoropropyl)-7-methyl-3-methylidene-6-(3-methylpyrrolidin-1-yl)nona-1,4,6-trien-2-amine is C=C(/C=C\C(=C(/C)CC)N1CCC(C)C1)C(=C)NCC(C)(F)F.
What is the InChIKey of (4Z,6Z)-N-(2,2-difluoropropyl)-7-methyl-3-methylidene-6-(3-methylpyrrolidin-1-yl)nona-1,4,6-trien-2-amine?
The InChIKey is CNBPYSZMRMFZNM-FVFMRWSDSA-N. The full InChI is InChI=1S/C19H30F2N2/c1-7-15(3)18(23-11-10-14(2)12-23)9-8-16(4)17(5)22-13-19(6,20)21/h8-9,14,22H,4-5,7,10-13H2,1-3,6H3/b9-8-,18-15-.
What are the key properties of (4Z,6Z)-N-(2,2-difluoropropyl)-7-methyl-3-methylidene-6-(3-methylpyrrolidin-1-yl)nona-1,4,6-trien-2-amine?
(4Z,6Z)-N-(2,2-difluoropropyl)-7-methyl-3-methylidene-6-(3-methylpyrrolidin-1-yl)nona-1,4,6-trien-2-amine has a molecular weight of 324.46 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-N-(2,2-difluoropropyl)-7-methyl-3-methylidene-6-(3-methylpyrrolidin-1-yl)nona-1,4,6-trien-2-amine is sourced from PubChem (CID 155001776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).