1-cyclopropyl-N-(3-fluoropropyl)butan-2-amine

C10H20FN — CID 81106825

IUPAC1-cyclopropyl-N-(3-fluoropropyl)butan-2-amine
SMILESCCC(CC1CC1)NCCCF
InChIInChI=1S/C10H20FN/c1-2-10(8-9-4-5-9)12-7-3-6-11/h9-10,12H,2-8H2,1H3
InChIKeyDQRWOTHQFLEWJA-UHFFFAOYSA-N
MW173.27 g/mol
LogP2.51
Rot. Bonds7

About 1-cyclopropyl-N-(3-fluoropropyl)butan-2-amine

1-cyclopropyl-N-(3-fluoropropyl)butan-2-amine (PubChem CID 81106825) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is 1-cyclopropyl-N-(3-fluoropropyl)butan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(3-fluoropropyl)butan-2-amine
PubChem CID81106825
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Name1-cyclopropyl-N-(3-fluoropropyl)butan-2-amine
SMILESCCC(CC1CC1)NCCCF
InChIInChI=1S/C10H20FN/c1-2-10(8-9-4-5-9)12-7-3-6-11/h9-10,12H,2-8H2,1H3
InChIKeyDQRWOTHQFLEWJA-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(3-fluoropropyl)butan-2-amine?
The IUPAC name of 1-cyclopropyl-N-(3-fluoropropyl)butan-2-amine (CID 81106825) is 1-cyclopropyl-N-(3-fluoropropyl)butan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-(3-fluoropropyl)butan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-(3-fluoropropyl)butan-2-amine is CCC(CC1CC1)NCCCF.
What is the InChIKey of 1-cyclopropyl-N-(3-fluoropropyl)butan-2-amine?
The InChIKey is DQRWOTHQFLEWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN/c1-2-10(8-9-4-5-9)12-7-3-6-11/h9-10,12H,2-8H2,1H3.
What are the key properties of 1-cyclopropyl-N-(3-fluoropropyl)butan-2-amine?
1-cyclopropyl-N-(3-fluoropropyl)butan-2-amine has a molecular weight of 173.27 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(3-fluoropropyl)butan-2-amine is sourced from PubChem (CID 81106825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).