(Z)-5-N-[(E)-2-(2-ethylcyclopropyl)prop-1-enyl]-1-fluoro-2-methyl-1-N-(2-methylidenebutyl)hex-1-ene-1,5-diamine

C20H35FN2 — CID 155394160

IUPAC(Z)-5-N-[(E)-2-(2-ethylcyclopropyl)prop-1-enyl]-1-fluoro-2-methyl-1-N-(2-methylidenebutyl)hex-1-ene-1,5-diamine
SMILESC=C(CC)CN/C(F)=C(\C)CCC(C)N/C=C(\C)C1CC1CC
InChIInChI=1S/C20H35FN2/c1-7-14(3)12-23-20(21)15(4)9-10-17(6)22-13-16(5)19-11-18(19)8-2/h13,17-19,22-23H,3,7-12H2,1-2,4-6H3/b16-13+,20-15+
InChIKeyOFTQNUDCMZDXDR-AULGJQFPSA-N
MW322.51 g/mol
LogP5.45
Rot. Bonds11

About (Z)-5-N-[(E)-2-(2-ethylcyclopropyl)prop-1-enyl]-1-fluoro-2-methyl-1-N-(2-methylidenebutyl)hex-1-ene-1,5-diamine

(Z)-5-N-[(E)-2-(2-ethylcyclopropyl)prop-1-enyl]-1-fluoro-2-methyl-1-N-(2-methylidenebutyl)hex-1-ene-1,5-diamine (PubChem CID 155394160) has the molecular formula C20H35FN2 and a molecular weight of 322.51 g/mol. Its IUPAC name is (Z)-5-N-[(E)-2-(2-ethylcyclopropyl)prop-1-enyl]-1-fluoro-2-methyl-1-N-(2-methylidenebutyl)hex-1-ene-1,5-diamine.

Molecular Properties

Compound Name(Z)-5-N-[(E)-2-(2-ethylcyclopropyl)prop-1-enyl]-1-fluoro-2-methyl-1-N-(2-methylidenebutyl)hex-1-ene-1,5-diamine
PubChem CID155394160
Molecular FormulaC20H35FN2
Molecular Weight322.51 g/mol
Exact Mass322.28
IUPAC Name(Z)-5-N-[(E)-2-(2-ethylcyclopropyl)prop-1-enyl]-1-fluoro-2-methyl-1-N-(2-methylidenebutyl)hex-1-ene-1,5-diamine
SMILESC=C(CC)CN/C(F)=C(\C)CCC(C)N/C=C(\C)C1CC1CC
InChIInChI=1S/C20H35FN2/c1-7-14(3)12-23-20(21)15(4)9-10-17(6)22-13-16(5)19-11-18(19)8-2/h13,17-19,22-23H,3,7-12H2,1-2,4-6H3/b16-13+,20-15+
InChIKeyOFTQNUDCMZDXDR-AULGJQFPSA-N
XLogP5.45
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.51
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze (Z)-5-N-[(E)-2-(2-ethylcyclopropyl)prop-1-enyl]-1-fluoro-2-methyl-1-N-(2-methylidenebutyl)hex-1-ene-1,5-diamine with MolForge

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Related Compounds

2-(1-fluoro-5,7-dimethylnon-6-en-4-ylidene)-N-methyl-3-(2-methylpentyl)cyclopropan-1-amine
CID 123194306
2-ethyl-4-fluoro-3-propyl-2,3-dihydro-1H-pyrrole
CID 141793033
(E)-5-ethyl-6-N-[(E)-3-ethyl-4-fluorohex-2-en-2-yl]-1-N,2-dimethylhept-1-ene-1,6-diamine
CID 146514744
(3R)-2-cyclopropyl-N-methylpent-1-en-3-amine
CID 117945350
2-N-(2-ethylpentyl)-3-methylidene-4-N-(3-propylhex-1-en-2-yl)pent-1-ene-2,4-diamine;2-fluoro-2-methylbutane
CID 142304975
ethane;N-ethenylbutan-1-amine;2-ethyl-N-(2-methylpent-1-en-3-yl)hexan-1-amine;pentane;propane
CID 145152022
(Z,4S,6S)-1-N,6-N,2,4-tetramethyl-3-methylidenehept-1-ene-1,6-diamine
CID 163494163
(E,4S,5R)-1-N-butyl-2,4-dimethylhept-1-ene-1,5-diamine
CID 163901968
N-(2,5-dimethylhex-1-en-3-yl)-5-propylocta-1,2-dien-3-amine
CID 176531144
N,2-dimethyl-1-(2-methylcyclopropyl)prop-2-en-1-amine
CID 79177303
N-ethyl-2-methyl-1-(2-methylcyclopropyl)prop-2-en-1-amine
CID 79177520
2-methyl-1-(2-methylcyclopropyl)-N-propylprop-2-en-1-amine
CID 79177747

Frequently Asked Questions

What is the IUPAC name of (Z)-5-N-[(E)-2-(2-ethylcyclopropyl)prop-1-enyl]-1-fluoro-2-methyl-1-N-(2-methylidenebutyl)hex-1-ene-1,5-diamine?
The IUPAC name of (Z)-5-N-[(E)-2-(2-ethylcyclopropyl)prop-1-enyl]-1-fluoro-2-methyl-1-N-(2-methylidenebutyl)hex-1-ene-1,5-diamine (CID 155394160) is (Z)-5-N-[(E)-2-(2-ethylcyclopropyl)prop-1-enyl]-1-fluoro-2-methyl-1-N-(2-methylidenebutyl)hex-1-ene-1,5-diamine.
What is the SMILES notation for (Z)-5-N-[(E)-2-(2-ethylcyclopropyl)prop-1-enyl]-1-fluoro-2-methyl-1-N-(2-methylidenebutyl)hex-1-ene-1,5-diamine?
The canonical SMILES for (Z)-5-N-[(E)-2-(2-ethylcyclopropyl)prop-1-enyl]-1-fluoro-2-methyl-1-N-(2-methylidenebutyl)hex-1-ene-1,5-diamine is C=C(CC)CN/C(F)=C(\C)CCC(C)N/C=C(\C)C1CC1CC.
What is the InChIKey of (Z)-5-N-[(E)-2-(2-ethylcyclopropyl)prop-1-enyl]-1-fluoro-2-methyl-1-N-(2-methylidenebutyl)hex-1-ene-1,5-diamine?
The InChIKey is OFTQNUDCMZDXDR-AULGJQFPSA-N. The full InChI is InChI=1S/C20H35FN2/c1-7-14(3)12-23-20(21)15(4)9-10-17(6)22-13-16(5)19-11-18(19)8-2/h13,17-19,22-23H,3,7-12H2,1-2,4-6H3/b16-13+,20-15+.
What are the key properties of (Z)-5-N-[(E)-2-(2-ethylcyclopropyl)prop-1-enyl]-1-fluoro-2-methyl-1-N-(2-methylidenebutyl)hex-1-ene-1,5-diamine?
(Z)-5-N-[(E)-2-(2-ethylcyclopropyl)prop-1-enyl]-1-fluoro-2-methyl-1-N-(2-methylidenebutyl)hex-1-ene-1,5-diamine has a molecular weight of 322.51 g/mol, XLogP of 5.45, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-N-[(E)-2-(2-ethylcyclopropyl)prop-1-enyl]-1-fluoro-2-methyl-1-N-(2-methylidenebutyl)hex-1-ene-1,5-diamine is sourced from PubChem (CID 155394160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).