N-(2,2-difluoroethyl)-6-methylhept-5-en-2-amine

C10H19F2N — CID 121451140

IUPACN-(2,2-difluoroethyl)-6-methylhept-5-en-2-amine
SMILESCC(C)=CCCC(C)NCC(F)F
InChIInChI=1S/C10H19F2N/c1-8(2)5-4-6-9(3)13-7-10(11)12/h5,9-10,13H,4,6-7H2,1-3H3
InChIKeyQOBPQEAQOWWSTO-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.98
Rot. Bonds6

About N-(2,2-difluoroethyl)-6-methylhept-5-en-2-amine

N-(2,2-difluoroethyl)-6-methylhept-5-en-2-amine (PubChem CID 121451140) has the molecular formula C10H19F2N and a molecular weight of 191.27 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-6-methylhept-5-en-2-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-6-methylhept-5-en-2-amine
PubChem CID121451140
Molecular FormulaC10H19F2N
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC NameN-(2,2-difluoroethyl)-6-methylhept-5-en-2-amine
SMILESCC(C)=CCCC(C)NCC(F)F
InChIInChI=1S/C10H19F2N/c1-8(2)5-4-6-9(3)13-7-10(11)12/h5,9-10,13H,4,6-7H2,1-3H3
InChIKeyQOBPQEAQOWWSTO-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2,2-difluoroethyl)-6-methylhept-5-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Isometheptene
CID 22297
Isometheptene Hydrochloride
CID 22549
Dexisometheptene
CID 24871315
Isometheptene-mucate
CID 6604597
6-Methyl-N-(prop-2-en-1-yl)hept-5-en-2-amine
CID 20850
6-Methyl-2-propylamino-5-heptene
CID 12541942
(E)-8,8,9,9,9-pentafluoro-N-methylnon-4-en-1-amine
CID 25215699
Methyl(6-methylhept-5-en-2-yl)azanium chloride
CID 53447279
Methyl(8,8,9,9,9-pentafluoronon-4-en-1-yl)amine
CID 74432311
(E)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine
CID 88588160
(Z)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine
CID 88588161
(E)-7,7-difluoro-4-methylhept-3-ene-2,6-diamine
CID 88698900

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-6-methylhept-5-en-2-amine?
The IUPAC name of N-(2,2-difluoroethyl)-6-methylhept-5-en-2-amine (CID 121451140) is N-(2,2-difluoroethyl)-6-methylhept-5-en-2-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-6-methylhept-5-en-2-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-6-methylhept-5-en-2-amine is CC(C)=CCCC(C)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-6-methylhept-5-en-2-amine?
The InChIKey is QOBPQEAQOWWSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N/c1-8(2)5-4-6-9(3)13-7-10(11)12/h5,9-10,13H,4,6-7H2,1-3H3.
What are the key properties of N-(2,2-difluoroethyl)-6-methylhept-5-en-2-amine?
N-(2,2-difluoroethyl)-6-methylhept-5-en-2-amine has a molecular weight of 191.27 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-6-methylhept-5-en-2-amine is sourced from PubChem (CID 121451140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).