(3Z)-N-[(5,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-4,5-dimethyl-N-propan-2-yl-3-prop-1-en-2-ylnona-1,3-dien-2-amine

C24H37F2N — CID 130242943

IUPAC(3Z)-N-[(5,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-4,5-dimethyl-N-propan-2-yl-3-prop-1-en-2-ylnona-1,3-dien-2-amine
SMILESC=C(C)/C(C(=C)N(CC1=CCCC(F)=C1F)C(C)C)=C(\C)C(C)CCCC
InChIInChI=1S/C24H37F2N/c1-9-10-12-18(6)19(7)23(16(2)3)20(8)27(17(4)5)15-21-13-11-14-22(25)24(21)26/h13,17-18H,2,8-12,14-15H2,1,3-7H3/b23-19-
InChIKeyCRZDHDOMUAYGKB-NMWGTECJSA-N
MW377.56 g/mol
LogP7.80
Rot. Bonds10

About (3Z)-N-[(5,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-4,5-dimethyl-N-propan-2-yl-3-prop-1-en-2-ylnona-1,3-dien-2-amine

(3Z)-N-[(5,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-4,5-dimethyl-N-propan-2-yl-3-prop-1-en-2-ylnona-1,3-dien-2-amine (PubChem CID 130242943) has the molecular formula C24H37F2N and a molecular weight of 377.56 g/mol. Its IUPAC name is (3Z)-N-[(5,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-4,5-dimethyl-N-propan-2-yl-3-prop-1-en-2-ylnona-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-N-[(5,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-4,5-dimethyl-N-propan-2-yl-3-prop-1-en-2-ylnona-1,3-dien-2-amine
PubChem CID130242943
Molecular FormulaC24H37F2N
Molecular Weight377.56 g/mol
Exact Mass377.29
IUPAC Name(3Z)-N-[(5,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-4,5-dimethyl-N-propan-2-yl-3-prop-1-en-2-ylnona-1,3-dien-2-amine
SMILESC=C(C)/C(C(=C)N(CC1=CCCC(F)=C1F)C(C)C)=C(\C)C(C)CCCC
InChIInChI=1S/C24H37F2N/c1-9-10-12-18(6)19(7)23(16(2)3)20(8)27(17(4)5)15-21-13-11-14-22(25)24(21)26/h13,17-18H,2,8-12,14-15H2,1,3-7H3/b23-19-
InChIKeyCRZDHDOMUAYGKB-NMWGTECJSA-N
XLogP7.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.56
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z)-N-[(5,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-4,5-dimethyl-N-propan-2-yl-3-prop-1-en-2-ylnona-1,3-dien-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-[(5,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-4,5-dimethyl-N-propan-2-yl-3-prop-1-en-2-ylnona-1,3-dien-2-amine?
The IUPAC name of (3Z)-N-[(5,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-4,5-dimethyl-N-propan-2-yl-3-prop-1-en-2-ylnona-1,3-dien-2-amine (CID 130242943) is (3Z)-N-[(5,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-4,5-dimethyl-N-propan-2-yl-3-prop-1-en-2-ylnona-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-N-[(5,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-4,5-dimethyl-N-propan-2-yl-3-prop-1-en-2-ylnona-1,3-dien-2-amine?
The canonical SMILES for (3Z)-N-[(5,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-4,5-dimethyl-N-propan-2-yl-3-prop-1-en-2-ylnona-1,3-dien-2-amine is C=C(C)/C(C(=C)N(CC1=CCCC(F)=C1F)C(C)C)=C(\C)C(C)CCCC.
What is the InChIKey of (3Z)-N-[(5,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-4,5-dimethyl-N-propan-2-yl-3-prop-1-en-2-ylnona-1,3-dien-2-amine?
The InChIKey is CRZDHDOMUAYGKB-NMWGTECJSA-N. The full InChI is InChI=1S/C24H37F2N/c1-9-10-12-18(6)19(7)23(16(2)3)20(8)27(17(4)5)15-21-13-11-14-22(25)24(21)26/h13,17-18H,2,8-12,14-15H2,1,3-7H3/b23-19-.
What are the key properties of (3Z)-N-[(5,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-4,5-dimethyl-N-propan-2-yl-3-prop-1-en-2-ylnona-1,3-dien-2-amine?
(3Z)-N-[(5,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-4,5-dimethyl-N-propan-2-yl-3-prop-1-en-2-ylnona-1,3-dien-2-amine has a molecular weight of 377.56 g/mol, XLogP of 7.80, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-[(5,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-4,5-dimethyl-N-propan-2-yl-3-prop-1-en-2-ylnona-1,3-dien-2-amine is sourced from PubChem (CID 130242943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).