N-(1-cyclopropylpropan-2-yl)-3-fluoro-4-methylpent-1-en-2-amine

C12H22FN — CID 174325971

IUPACN-(1-cyclopropylpropan-2-yl)-3-fluoro-4-methylpent-1-en-2-amine
SMILESC=C(NC(C)CC1CC1)C(F)C(C)C
InChIInChI=1S/C12H22FN/c1-8(2)12(13)10(4)14-9(3)7-11-5-6-11/h8-9,11-12,14H,4-7H2,1-3H3
InChIKeyRGLXVKDMLYAZKC-UHFFFAOYSA-N
MW199.31 g/mol
LogP3.27
Rot. Bonds6

About N-(1-cyclopropylpropan-2-yl)-3-fluoro-4-methylpent-1-en-2-amine

N-(1-cyclopropylpropan-2-yl)-3-fluoro-4-methylpent-1-en-2-amine (PubChem CID 174325971) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-3-fluoro-4-methylpent-1-en-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-3-fluoro-4-methylpent-1-en-2-amine
PubChem CID174325971
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC NameN-(1-cyclopropylpropan-2-yl)-3-fluoro-4-methylpent-1-en-2-amine
SMILESC=C(NC(C)CC1CC1)C(F)C(C)C
InChIInChI=1S/C12H22FN/c1-8(2)12(13)10(4)14-9(3)7-11-5-6-11/h8-9,11-12,14H,4-7H2,1-3H3
InChIKeyRGLXVKDMLYAZKC-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methylamino-6-methylhepten
CID 23616912
4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine
CID 89108112
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
(4R,5S)-2-N-(2,2-dimethylpropyl)-3,3-difluoro-4,6-dimethylhept-1-ene-2,5-diamine
CID 145185610
(4R,5S)-2-N-ethyl-3,3-difluoro-4,6-dimethylhept-1-ene-2,5-diamine
CID 145185621
(4R,5S)-3,3-difluoro-4,6-dimethyl-2-N-(2,2,2-trifluoroethyl)hept-1-ene-2,5-diamine
CID 145185625
3-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-1-en-2-amine
CID 155730429
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
N-[1-(4,4-difluorocyclohexyl)ethenyl]propan-2-amine
CID 174336602
3-fluoro-N-(3-methylbut-1-en-2-yl)cyclohexan-1-amine
CID 178017829

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-3-fluoro-4-methylpent-1-en-2-amine?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-3-fluoro-4-methylpent-1-en-2-amine (CID 174325971) is N-(1-cyclopropylpropan-2-yl)-3-fluoro-4-methylpent-1-en-2-amine.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-3-fluoro-4-methylpent-1-en-2-amine?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-3-fluoro-4-methylpent-1-en-2-amine is C=C(NC(C)CC1CC1)C(F)C(C)C.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-3-fluoro-4-methylpent-1-en-2-amine?
The InChIKey is RGLXVKDMLYAZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN/c1-8(2)12(13)10(4)14-9(3)7-11-5-6-11/h8-9,11-12,14H,4-7H2,1-3H3.
What are the key properties of N-(1-cyclopropylpropan-2-yl)-3-fluoro-4-methylpent-1-en-2-amine?
N-(1-cyclopropylpropan-2-yl)-3-fluoro-4-methylpent-1-en-2-amine has a molecular weight of 199.31 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-3-fluoro-4-methylpent-1-en-2-amine is sourced from PubChem (CID 174325971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).