N-(2-fluoropropyl)butan-2-amine

C7H16FN — CID 163635635

IUPACN-(2-fluoropropyl)butan-2-amine
SMILESCCC(C)NCC(C)F
InChIInChI=1S/C7H16FN/c1-4-7(3)9-5-6(2)8/h6-7,9H,4-5H2,1-3H3
InChIKeyHZVXRBYSEFUJPS-UHFFFAOYSA-N
MW133.21 g/mol
LogP1.73
Rot. Bonds4

About N-(2-fluoropropyl)butan-2-amine

N-(2-fluoropropyl)butan-2-amine (PubChem CID 163635635) has the molecular formula C7H16FN and a molecular weight of 133.21 g/mol. Its IUPAC name is N-(2-fluoropropyl)butan-2-amine.

Molecular Properties

Compound NameN-(2-fluoropropyl)butan-2-amine
PubChem CID163635635
Molecular FormulaC7H16FN
Molecular Weight133.21 g/mol
Exact Mass133.13
IUPAC NameN-(2-fluoropropyl)butan-2-amine
SMILESCCC(C)NCC(C)F
InChIInChI=1S/C7H16FN/c1-4-7(3)9-5-6(2)8/h6-7,9H,4-5H2,1-3H3
InChIKeyHZVXRBYSEFUJPS-UHFFFAOYSA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.21
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Diisopropylamine
CID 7912
DI-Sec-butylamine
CID 12277
Isopropylethylamine
CID 88318
2-Propanamine, N-(1-methylethyl)-, hydrochloride (1:1)
CID 11320964
N-Isopropylpropane-1,3-diamine
CID 76888
N-Methyl-2-butanamine
CID 111026
N-Isopropylpropylamine
CID 89119
(Butan-2-yl)(butyl)amine
CID 4133797
2-Butanamine, N-ethyl-
CID 89416
Diisopropylamine, hydrochloride
CID 13169
N-sec-Butylpropylamine
CID 559366
Diisopropylamine Hydrobromide
CID 12202996

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoropropyl)butan-2-amine?
The IUPAC name of N-(2-fluoropropyl)butan-2-amine (CID 163635635) is N-(2-fluoropropyl)butan-2-amine.
What is the SMILES notation for N-(2-fluoropropyl)butan-2-amine?
The canonical SMILES for N-(2-fluoropropyl)butan-2-amine is CCC(C)NCC(C)F.
What is the InChIKey of N-(2-fluoropropyl)butan-2-amine?
The InChIKey is HZVXRBYSEFUJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FN/c1-4-7(3)9-5-6(2)8/h6-7,9H,4-5H2,1-3H3.
What are the key properties of N-(2-fluoropropyl)butan-2-amine?
N-(2-fluoropropyl)butan-2-amine has a molecular weight of 133.21 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoropropyl)butan-2-amine is sourced from PubChem (CID 163635635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).