N'-[(Z,9S)-9-fluoro-4-methylidenedec-5-enyl]-N-methylpropane-1,3-diamine

C15H29FN2 — CID 137402236

IUPACN'-[(Z,9S)-9-fluoro-4-methylidenedec-5-enyl]-N-methylpropane-1,3-diamine
SMILESC=C(/C=C\CC[C@H](C)F)CCCNCCCNC
InChIInChI=1S/C15H29FN2/c1-14(8-4-5-10-15(2)16)9-6-12-18-13-7-11-17-3/h4,8,15,17-18H,1,5-7,9-13H2,2-3H3/b8-4-/t15-/m0/s1
InChIKeyVSLDGBMAHRJNLP-UVCVVPOWSA-N
MW256.41 g/mol
LogP3.22
Rot. Bonds12

About N'-[(Z,9S)-9-fluoro-4-methylidenedec-5-enyl]-N-methylpropane-1,3-diamine

N'-[(Z,9S)-9-fluoro-4-methylidenedec-5-enyl]-N-methylpropane-1,3-diamine (PubChem CID 137402236) has the molecular formula C15H29FN2 and a molecular weight of 256.41 g/mol. Its IUPAC name is N'-[(Z,9S)-9-fluoro-4-methylidenedec-5-enyl]-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(Z,9S)-9-fluoro-4-methylidenedec-5-enyl]-N-methylpropane-1,3-diamine
PubChem CID137402236
Molecular FormulaC15H29FN2
Molecular Weight256.41 g/mol
Exact Mass256.23
IUPAC NameN'-[(Z,9S)-9-fluoro-4-methylidenedec-5-enyl]-N-methylpropane-1,3-diamine
SMILESC=C(/C=C\CC[C@H](C)F)CCCNCCCNC
InChIInChI=1S/C15H29FN2/c1-14(8-4-5-10-15(2)16)9-6-12-18-13-7-11-17-3/h4,8,15,17-18H,1,5-7,9-13H2,2-3H3/b8-4-/t15-/m0/s1
InChIKeyVSLDGBMAHRJNLP-UVCVVPOWSA-N
XLogP3.22
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopenta-1,3-dien-1-yl-N-methylethanamine
CID 15392411
N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70325320
4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]piperidin-4-amine
CID 88582935
2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine
CID 89035224
(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 89153630
(4E)-N-butyl-4-[(Z)-prop-1-enyl]-5-(trifluoromethyl)hepta-4,6-dien-1-amine
CID 89320137
(2E,4Z)-3-fluoro-N-methylnona-2,4-diene-1,9-diamine
CID 121336104
7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine
CID 123382807
2-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 123678062
(Z)-4-[(Z)-3-fluoroprop-1-enyl]-N,3-dimethylhept-4-en-1-amine
CID 129210432
3-cyclohexa-1,5-dien-1-yl-2-fluoro-N-prop-2-ynylpropan-1-amine
CID 129254233
N-[2-[(1Z,4Z)-5-ethyl-2-(fluoromethyl)cyclodeca-1,4,6-trien-1-yl]ethyl]propan-1-amine
CID 130390669

Frequently Asked Questions

What is the IUPAC name of N'-[(Z,9S)-9-fluoro-4-methylidenedec-5-enyl]-N-methylpropane-1,3-diamine?
The IUPAC name of N'-[(Z,9S)-9-fluoro-4-methylidenedec-5-enyl]-N-methylpropane-1,3-diamine (CID 137402236) is N'-[(Z,9S)-9-fluoro-4-methylidenedec-5-enyl]-N-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[(Z,9S)-9-fluoro-4-methylidenedec-5-enyl]-N-methylpropane-1,3-diamine?
The canonical SMILES for N'-[(Z,9S)-9-fluoro-4-methylidenedec-5-enyl]-N-methylpropane-1,3-diamine is C=C(/C=C\CC[C@H](C)F)CCCNCCCNC.
What is the InChIKey of N'-[(Z,9S)-9-fluoro-4-methylidenedec-5-enyl]-N-methylpropane-1,3-diamine?
The InChIKey is VSLDGBMAHRJNLP-UVCVVPOWSA-N. The full InChI is InChI=1S/C15H29FN2/c1-14(8-4-5-10-15(2)16)9-6-12-18-13-7-11-17-3/h4,8,15,17-18H,1,5-7,9-13H2,2-3H3/b8-4-/t15-/m0/s1.
What are the key properties of N'-[(Z,9S)-9-fluoro-4-methylidenedec-5-enyl]-N-methylpropane-1,3-diamine?
N'-[(Z,9S)-9-fluoro-4-methylidenedec-5-enyl]-N-methylpropane-1,3-diamine has a molecular weight of 256.41 g/mol, XLogP of 3.22, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z,9S)-9-fluoro-4-methylidenedec-5-enyl]-N-methylpropane-1,3-diamine is sourced from PubChem (CID 137402236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).