N-ethyl-2-fluoro-3,3-dimethyl-2-(1-methylcyclopropyl)butan-1-amine

C12H24FN — CID 138526512

IUPACN-ethyl-2-fluoro-3,3-dimethyl-2-(1-methylcyclopropyl)butan-1-amine
SMILESCCNCC(F)(C(C)(C)C)C1(C)CC1
InChIInChI=1S/C12H24FN/c1-6-14-9-12(13,10(2,3)4)11(5)7-8-11/h14H,6-9H2,1-5H3
InChIKeyDNWCXPLIPVNJBF-UHFFFAOYSA-N
MW201.33 g/mol
LogP3.15
Rot. Bonds4

About N-ethyl-2-fluoro-3,3-dimethyl-2-(1-methylcyclopropyl)butan-1-amine

N-ethyl-2-fluoro-3,3-dimethyl-2-(1-methylcyclopropyl)butan-1-amine (PubChem CID 138526512) has the molecular formula C12H24FN and a molecular weight of 201.33 g/mol. Its IUPAC name is N-ethyl-2-fluoro-3,3-dimethyl-2-(1-methylcyclopropyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-fluoro-3,3-dimethyl-2-(1-methylcyclopropyl)butan-1-amine
PubChem CID138526512
Molecular FormulaC12H24FN
Molecular Weight201.33 g/mol
Exact Mass201.19
IUPAC NameN-ethyl-2-fluoro-3,3-dimethyl-2-(1-methylcyclopropyl)butan-1-amine
SMILESCCNCC(F)(C(C)(C)C)C1(C)CC1
InChIInChI=1S/C12H24FN/c1-6-14-9-12(13,10(2,3)4)11(5)7-8-11/h14H,6-9H2,1-5H3
InChIKeyDNWCXPLIPVNJBF-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-3,3-dimethyl-2-(1-methylcyclopropyl)butan-1-amine?
The IUPAC name of N-ethyl-2-fluoro-3,3-dimethyl-2-(1-methylcyclopropyl)butan-1-amine (CID 138526512) is N-ethyl-2-fluoro-3,3-dimethyl-2-(1-methylcyclopropyl)butan-1-amine.
What is the SMILES notation for N-ethyl-2-fluoro-3,3-dimethyl-2-(1-methylcyclopropyl)butan-1-amine?
The canonical SMILES for N-ethyl-2-fluoro-3,3-dimethyl-2-(1-methylcyclopropyl)butan-1-amine is CCNCC(F)(C(C)(C)C)C1(C)CC1.
What is the InChIKey of N-ethyl-2-fluoro-3,3-dimethyl-2-(1-methylcyclopropyl)butan-1-amine?
The InChIKey is DNWCXPLIPVNJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FN/c1-6-14-9-12(13,10(2,3)4)11(5)7-8-11/h14H,6-9H2,1-5H3.
What are the key properties of N-ethyl-2-fluoro-3,3-dimethyl-2-(1-methylcyclopropyl)butan-1-amine?
N-ethyl-2-fluoro-3,3-dimethyl-2-(1-methylcyclopropyl)butan-1-amine has a molecular weight of 201.33 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-3,3-dimethyl-2-(1-methylcyclopropyl)butan-1-amine is sourced from PubChem (CID 138526512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).