N-[(1-fluorocyclopropyl)methyl]-N,2-dimethylpropan-2-amine

C9H18FN — CID 134429379

IUPACN-[(1-fluorocyclopropyl)methyl]-N,2-dimethylpropan-2-amine
SMILESCN(CC1(F)CC1)C(C)(C)C
InChIInChI=1S/C9H18FN/c1-8(2,3)11(4)7-9(10)5-6-9/h5-7H2,1-4H3
InChIKeyADSXVJTYOVRUEE-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.22
Rot. Bonds2

About N-[(1-fluorocyclopropyl)methyl]-N,2-dimethylpropan-2-amine

N-[(1-fluorocyclopropyl)methyl]-N,2-dimethylpropan-2-amine (PubChem CID 134429379) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is N-[(1-fluorocyclopropyl)methyl]-N,2-dimethylpropan-2-amine.

Molecular Properties

Compound NameN-[(1-fluorocyclopropyl)methyl]-N,2-dimethylpropan-2-amine
PubChem CID134429379
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC NameN-[(1-fluorocyclopropyl)methyl]-N,2-dimethylpropan-2-amine
SMILESCN(CC1(F)CC1)C(C)(C)C
InChIInChI=1S/C9H18FN/c1-8(2,3)11(4)7-9(10)5-6-9/h5-7H2,1-4H3
InChIKeyADSXVJTYOVRUEE-UHFFFAOYSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(1-fluorocyclopropyl)methyl]-N,2-dimethylpropan-2-amine?
The IUPAC name of N-[(1-fluorocyclopropyl)methyl]-N,2-dimethylpropan-2-amine (CID 134429379) is N-[(1-fluorocyclopropyl)methyl]-N,2-dimethylpropan-2-amine.
What is the SMILES notation for N-[(1-fluorocyclopropyl)methyl]-N,2-dimethylpropan-2-amine?
The canonical SMILES for N-[(1-fluorocyclopropyl)methyl]-N,2-dimethylpropan-2-amine is CN(CC1(F)CC1)C(C)(C)C.
What is the InChIKey of N-[(1-fluorocyclopropyl)methyl]-N,2-dimethylpropan-2-amine?
The InChIKey is ADSXVJTYOVRUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-8(2,3)11(4)7-9(10)5-6-9/h5-7H2,1-4H3.
What are the key properties of N-[(1-fluorocyclopropyl)methyl]-N,2-dimethylpropan-2-amine?
N-[(1-fluorocyclopropyl)methyl]-N,2-dimethylpropan-2-amine has a molecular weight of 159.25 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-fluorocyclopropyl)methyl]-N,2-dimethylpropan-2-amine is sourced from PubChem (CID 134429379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).