(3Z)-N-(7-fluoronon-3-en-8-ynyl)-N,4,5-trimethyl-3-prop-1-en-2-ylnona-1,3-dien-2-amine

C24H38FN — CID 130242987

IUPAC(3Z)-N-(7-fluoronon-3-en-8-ynyl)-N,4,5-trimethyl-3-prop-1-en-2-ylnona-1,3-dien-2-amine
SMILESC#CC(F)CCC=CCCN(C)C(=C)/C(C(=C)C)=C(/C)C(C)CCCC
InChIInChI=1S/C24H38FN/c1-9-11-16-20(5)21(6)24(19(3)4)22(7)26(8)18-15-13-12-14-17-23(25)10-2/h2,12-13,20,23H,3,7,9,11,14-18H2,1,4-6,8H3/b13-12?,24-21-
InChIKeyRDWIMWCUKBSGMR-CCEFZLMMSA-N
MW359.57 g/mol
LogP6.85
Rot. Bonds13

About (3Z)-N-(7-fluoronon-3-en-8-ynyl)-N,4,5-trimethyl-3-prop-1-en-2-ylnona-1,3-dien-2-amine

(3Z)-N-(7-fluoronon-3-en-8-ynyl)-N,4,5-trimethyl-3-prop-1-en-2-ylnona-1,3-dien-2-amine (PubChem CID 130242987) has the molecular formula C24H38FN and a molecular weight of 359.57 g/mol. Its IUPAC name is (3Z)-N-(7-fluoronon-3-en-8-ynyl)-N,4,5-trimethyl-3-prop-1-en-2-ylnona-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-N-(7-fluoronon-3-en-8-ynyl)-N,4,5-trimethyl-3-prop-1-en-2-ylnona-1,3-dien-2-amine
PubChem CID130242987
Molecular FormulaC24H38FN
Molecular Weight359.57 g/mol
Exact Mass359.30
IUPAC Name(3Z)-N-(7-fluoronon-3-en-8-ynyl)-N,4,5-trimethyl-3-prop-1-en-2-ylnona-1,3-dien-2-amine
SMILESC#CC(F)CCC=CCCN(C)C(=C)/C(C(=C)C)=C(/C)C(C)CCCC
InChIInChI=1S/C24H38FN/c1-9-11-16-20(5)21(6)24(19(3)4)22(7)26(8)18-15-13-12-14-17-23(25)10-2/h2,12-13,20,23H,3,7,9,11,14-18H2,1,4-6,8H3/b13-12?,24-21-
InChIKeyRDWIMWCUKBSGMR-CCEFZLMMSA-N
XLogP6.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.57
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-(7-fluoronon-3-en-8-ynyl)-N,4,5-trimethyl-3-prop-1-en-2-ylnona-1,3-dien-2-amine?
The IUPAC name of (3Z)-N-(7-fluoronon-3-en-8-ynyl)-N,4,5-trimethyl-3-prop-1-en-2-ylnona-1,3-dien-2-amine (CID 130242987) is (3Z)-N-(7-fluoronon-3-en-8-ynyl)-N,4,5-trimethyl-3-prop-1-en-2-ylnona-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-N-(7-fluoronon-3-en-8-ynyl)-N,4,5-trimethyl-3-prop-1-en-2-ylnona-1,3-dien-2-amine?
The canonical SMILES for (3Z)-N-(7-fluoronon-3-en-8-ynyl)-N,4,5-trimethyl-3-prop-1-en-2-ylnona-1,3-dien-2-amine is C#CC(F)CCC=CCCN(C)C(=C)/C(C(=C)C)=C(/C)C(C)CCCC.
What is the InChIKey of (3Z)-N-(7-fluoronon-3-en-8-ynyl)-N,4,5-trimethyl-3-prop-1-en-2-ylnona-1,3-dien-2-amine?
The InChIKey is RDWIMWCUKBSGMR-CCEFZLMMSA-N. The full InChI is InChI=1S/C24H38FN/c1-9-11-16-20(5)21(6)24(19(3)4)22(7)26(8)18-15-13-12-14-17-23(25)10-2/h2,12-13,20,23H,3,7,9,11,14-18H2,1,4-6,8H3/b13-12?,24-21-.
What are the key properties of (3Z)-N-(7-fluoronon-3-en-8-ynyl)-N,4,5-trimethyl-3-prop-1-en-2-ylnona-1,3-dien-2-amine?
(3Z)-N-(7-fluoronon-3-en-8-ynyl)-N,4,5-trimethyl-3-prop-1-en-2-ylnona-1,3-dien-2-amine has a molecular weight of 359.57 g/mol, XLogP of 6.85, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-(7-fluoronon-3-en-8-ynyl)-N,4,5-trimethyl-3-prop-1-en-2-ylnona-1,3-dien-2-amine is sourced from PubChem (CID 130242987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).