ethane;(E,4Z)-4-ethylidene-5-fluoro-1-N,3-dimethyl-1-N-[(2E)-2-methylpenta-2,4-dienyl]hept-5-ene-1,3-diamine;prop-1-ene

C24H47FN2 — CID 144826855

IUPACethane;(E,4Z)-4-ethylidene-5-fluoro-1-N,3-dimethyl-1-N-[(2E)-2-methylpenta-2,4-dienyl]hept-5-ene-1,3-diamine;prop-1-ene
SMILESC=C/C=C(\C)CN(C)CCC(C)(N)C(=C/C)/C(F)=C\C.C=CC.CC.CC
InChIInChI=1S/C17H29FN2.C3H6.2C2H6/c1-7-10-14(4)13-20(6)12-11-17(5,19)15(8-2)16(18)9-3;1-3-2;2*1-2/h7-10H,1,11-13,19H2,2-6H3;3H,1H2,2H3;2*1-2H3/b14-10+,15-8+,16-9+;;;
InChIKeyLAIPVMTUIAPJPD-ZKBQRQNMSA-N
MW382.65 g/mol
LogP7.22
Rot. Bonds8

About ethane;(E,4Z)-4-ethylidene-5-fluoro-1-N,3-dimethyl-1-N-[(2E)-2-methylpenta-2,4-dienyl]hept-5-ene-1,3-diamine;prop-1-ene

ethane;(E,4Z)-4-ethylidene-5-fluoro-1-N,3-dimethyl-1-N-[(2E)-2-methylpenta-2,4-dienyl]hept-5-ene-1,3-diamine;prop-1-ene (PubChem CID 144826855) has the molecular formula C24H47FN2 and a molecular weight of 382.65 g/mol. Its IUPAC name is ethane;(E,4Z)-4-ethylidene-5-fluoro-1-N,3-dimethyl-1-N-[(2E)-2-methylpenta-2,4-dienyl]hept-5-ene-1,3-diamine;prop-1-ene.

Molecular Properties

Compound Nameethane;(E,4Z)-4-ethylidene-5-fluoro-1-N,3-dimethyl-1-N-[(2E)-2-methylpenta-2,4-dienyl]hept-5-ene-1,3-diamine;prop-1-ene
PubChem CID144826855
Molecular FormulaC24H47FN2
Molecular Weight382.65 g/mol
Exact Mass382.37
IUPAC Nameethane;(E,4Z)-4-ethylidene-5-fluoro-1-N,3-dimethyl-1-N-[(2E)-2-methylpenta-2,4-dienyl]hept-5-ene-1,3-diamine;prop-1-ene
SMILESC=C/C=C(\C)CN(C)CCC(C)(N)C(=C/C)/C(F)=C\C.C=CC.CC.CC
InChIInChI=1S/C17H29FN2.C3H6.2C2H6/c1-7-10-14(4)13-20(6)12-11-17(5,19)15(8-2)16(18)9-3;1-3-2;2*1-2/h7-10H,1,11-13,19H2,2-6H3;3H,1H2,2H3;2*1-2H3/b14-10+,15-8+,16-9+;;;
InChIKeyLAIPVMTUIAPJPD-ZKBQRQNMSA-N
XLogP7.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.65
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(E,4Z)-4-ethylidene-5-fluoro-1-N,3-dimethyl-1-N-[(2E)-2-methylpenta-2,4-dienyl]hept-5-ene-1,3-diamine;prop-1-ene?
The IUPAC name of ethane;(E,4Z)-4-ethylidene-5-fluoro-1-N,3-dimethyl-1-N-[(2E)-2-methylpenta-2,4-dienyl]hept-5-ene-1,3-diamine;prop-1-ene (CID 144826855) is ethane;(E,4Z)-4-ethylidene-5-fluoro-1-N,3-dimethyl-1-N-[(2E)-2-methylpenta-2,4-dienyl]hept-5-ene-1,3-diamine;prop-1-ene.
What is the SMILES notation for ethane;(E,4Z)-4-ethylidene-5-fluoro-1-N,3-dimethyl-1-N-[(2E)-2-methylpenta-2,4-dienyl]hept-5-ene-1,3-diamine;prop-1-ene?
The canonical SMILES for ethane;(E,4Z)-4-ethylidene-5-fluoro-1-N,3-dimethyl-1-N-[(2E)-2-methylpenta-2,4-dienyl]hept-5-ene-1,3-diamine;prop-1-ene is C=C/C=C(\C)CN(C)CCC(C)(N)C(=C/C)/C(F)=C\C.C=CC.CC.CC.
What is the InChIKey of ethane;(E,4Z)-4-ethylidene-5-fluoro-1-N,3-dimethyl-1-N-[(2E)-2-methylpenta-2,4-dienyl]hept-5-ene-1,3-diamine;prop-1-ene?
The InChIKey is LAIPVMTUIAPJPD-ZKBQRQNMSA-N. The full InChI is InChI=1S/C17H29FN2.C3H6.2C2H6/c1-7-10-14(4)13-20(6)12-11-17(5,19)15(8-2)16(18)9-3;1-3-2;2*1-2/h7-10H,1,11-13,19H2,2-6H3;3H,1H2,2H3;2*1-2H3/b14-10+,15-8+,16-9+;;;.
What are the key properties of ethane;(E,4Z)-4-ethylidene-5-fluoro-1-N,3-dimethyl-1-N-[(2E)-2-methylpenta-2,4-dienyl]hept-5-ene-1,3-diamine;prop-1-ene?
ethane;(E,4Z)-4-ethylidene-5-fluoro-1-N,3-dimethyl-1-N-[(2E)-2-methylpenta-2,4-dienyl]hept-5-ene-1,3-diamine;prop-1-ene has a molecular weight of 382.65 g/mol, XLogP of 7.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E,4Z)-4-ethylidene-5-fluoro-1-N,3-dimethyl-1-N-[(2E)-2-methylpenta-2,4-dienyl]hept-5-ene-1,3-diamine;prop-1-ene is sourced from PubChem (CID 144826855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).