6-fluoro-6-methyl-N-pent-4-en-2-ylhept-1-en-2-amine

C13H24FN — CID 142558436

IUPAC6-fluoro-6-methyl-N-pent-4-en-2-ylhept-1-en-2-amine
SMILESC=CCC(C)NC(=C)CCCC(C)(C)F
InChIInChI=1S/C13H24FN/c1-6-8-11(2)15-12(3)9-7-10-13(4,5)14/h6,11,15H,1,3,7-10H2,2,4-5H3
InChIKeyRSBUHAJMPFWMFF-UHFFFAOYSA-N
MW213.34 g/mol
LogP3.97
Rot. Bonds8

About 6-fluoro-6-methyl-N-pent-4-en-2-ylhept-1-en-2-amine

6-fluoro-6-methyl-N-pent-4-en-2-ylhept-1-en-2-amine (PubChem CID 142558436) has the molecular formula C13H24FN and a molecular weight of 213.34 g/mol. Its IUPAC name is 6-fluoro-6-methyl-N-pent-4-en-2-ylhept-1-en-2-amine.

Molecular Properties

Compound Name6-fluoro-6-methyl-N-pent-4-en-2-ylhept-1-en-2-amine
PubChem CID142558436
Molecular FormulaC13H24FN
Molecular Weight213.34 g/mol
Exact Mass213.19
IUPAC Name6-fluoro-6-methyl-N-pent-4-en-2-ylhept-1-en-2-amine
SMILESC=CCC(C)NC(=C)CCCC(C)(C)F
InChIInChI=1S/C13H24FN/c1-6-8-11(2)15-12(3)9-7-10-13(4,5)14/h6,11,15H,1,3,7-10H2,2,4-5H3
InChIKeyRSBUHAJMPFWMFF-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.34
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-N-(4-fluoro-5-methylhexyl)-1-N,1-N-dimethylpent-4-ene-1,4-diamine
CID 139394923
3,5-dimethyl-N-(2,2,2-trifluoroethyl)hept-1-en-2-amine
CID 143513257
(Z,2S,4R,5R)-7-fluoro-N,3,4,5-tetramethylhept-6-en-2-amine
CID 164044119
(2R)-N-[(Z)-but-1-enyl]-4-fluorohexan-2-amine
CID 167204705
2-(5-fluorohexan-2-yl)-2,3-dihydro-1H-pyrrole
CID 167204966
2-fluoro-3-methyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-ylhexane-1,6-diamine
CID 170005542
2-fluoro-N',3-dimethyl-N-(3-methylbut-1-en-2-yl)hexane-1,6-diamine
CID 170040888
(4R)-5-fluoro-N,4-dimethylhepta-1,6-dien-2-amine
CID 173813568
(3R,5S)-3-fluoro-3,5-dimethyl-N-(2-methylpropyl)cyclohexen-1-amine
CID 173813968
N-(1-cyclopropylpropan-2-yl)-3-fluoro-4-methylpent-1-en-2-amine
CID 174325971
2-methyl-N-[(Z)-pent-1-enyl]hexan-3-amine
CID 88943324
3-[(E)-but-1-enyl]-N-propan-2-ylcyclohexen-1-amine
CID 89078729

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-6-methyl-N-pent-4-en-2-ylhept-1-en-2-amine?
The IUPAC name of 6-fluoro-6-methyl-N-pent-4-en-2-ylhept-1-en-2-amine (CID 142558436) is 6-fluoro-6-methyl-N-pent-4-en-2-ylhept-1-en-2-amine.
What is the SMILES notation for 6-fluoro-6-methyl-N-pent-4-en-2-ylhept-1-en-2-amine?
The canonical SMILES for 6-fluoro-6-methyl-N-pent-4-en-2-ylhept-1-en-2-amine is C=CCC(C)NC(=C)CCCC(C)(C)F.
What is the InChIKey of 6-fluoro-6-methyl-N-pent-4-en-2-ylhept-1-en-2-amine?
The InChIKey is RSBUHAJMPFWMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FN/c1-6-8-11(2)15-12(3)9-7-10-13(4,5)14/h6,11,15H,1,3,7-10H2,2,4-5H3.
What are the key properties of 6-fluoro-6-methyl-N-pent-4-en-2-ylhept-1-en-2-amine?
6-fluoro-6-methyl-N-pent-4-en-2-ylhept-1-en-2-amine has a molecular weight of 213.34 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-6-methyl-N-pent-4-en-2-ylhept-1-en-2-amine is sourced from PubChem (CID 142558436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).