N-(2-fluoro-2-methylpropyl)-3-methylbut-1-en-2-amine

C9H18FN — CID 146536937

IUPACN-(2-fluoro-2-methylpropyl)-3-methylbut-1-en-2-amine
SMILESC=C(NCC(C)(C)F)C(C)C
InChIInChI=1S/C9H18FN/c1-7(2)8(3)11-6-9(4,5)10/h7,11H,3,6H2,1-2,4-5H3
InChIKeyHPOLYRZYZZILFT-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.49
Rot. Bonds4

About N-(2-fluoro-2-methylpropyl)-3-methylbut-1-en-2-amine

N-(2-fluoro-2-methylpropyl)-3-methylbut-1-en-2-amine (PubChem CID 146536937) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is N-(2-fluoro-2-methylpropyl)-3-methylbut-1-en-2-amine.

Molecular Properties

Compound NameN-(2-fluoro-2-methylpropyl)-3-methylbut-1-en-2-amine
PubChem CID146536937
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC NameN-(2-fluoro-2-methylpropyl)-3-methylbut-1-en-2-amine
SMILESC=C(NCC(C)(C)F)C(C)C
InChIInChI=1S/C9H18FN/c1-7(2)8(3)11-6-9(4,5)10/h7,11H,3,6H2,1-2,4-5H3
InChIKeyHPOLYRZYZZILFT-UHFFFAOYSA-N
XLogP2.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-N-propylbut-1-en-2-amine
CID 88874456
N-(2-fluoroethyl)-3-methyl-N-propylbut-1-en-2-amine
CID 130217215
4-N-(3-fluoro-2-methylbutyl)-2-N-propylpenta-1,4-diene-2,4-diamine
CID 130242921
N-(2-fluoro-2-methylpropyl)-N,3-dimethylbut-1-en-2-amine
CID 130436255
(Z)-2-fluoro-3-methyl-N-prop-1-en-2-ylbut-1-en-1-amine
CID 131999448
N-(2-fluoropropyl)-N,3-dimethylbut-1-en-2-amine
CID 132192306
(E,4R)-4-fluoro-N-(2-methylpropyl)hept-2-en-2-amine
CID 139324079
N-(3-fluoroprop-1-en-2-yl)-2-methylpropan-1-amine
CID 139429986
4,4,4-trifluoro-N-propylbut-1-en-2-amine
CID 144591695
3-fluoro-3-methyl-N-propan-2-ylbut-1-en-2-amine
CID 146341897
2-fluoro-3,3-dimethyl-N-(3-methylbut-1-en-2-yl)butan-1-amine
CID 153602081
3-methyl-N-(2,2,2-trifluoroethyl)but-1-en-2-amine
CID 154671759

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-2-methylpropyl)-3-methylbut-1-en-2-amine?
The IUPAC name of N-(2-fluoro-2-methylpropyl)-3-methylbut-1-en-2-amine (CID 146536937) is N-(2-fluoro-2-methylpropyl)-3-methylbut-1-en-2-amine.
What is the SMILES notation for N-(2-fluoro-2-methylpropyl)-3-methylbut-1-en-2-amine?
The canonical SMILES for N-(2-fluoro-2-methylpropyl)-3-methylbut-1-en-2-amine is C=C(NCC(C)(C)F)C(C)C.
What is the InChIKey of N-(2-fluoro-2-methylpropyl)-3-methylbut-1-en-2-amine?
The InChIKey is HPOLYRZYZZILFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-7(2)8(3)11-6-9(4,5)10/h7,11H,3,6H2,1-2,4-5H3.
What are the key properties of N-(2-fluoro-2-methylpropyl)-3-methylbut-1-en-2-amine?
N-(2-fluoro-2-methylpropyl)-3-methylbut-1-en-2-amine has a molecular weight of 159.25 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-2-methylpropyl)-3-methylbut-1-en-2-amine is sourced from PubChem (CID 146536937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).