N-(cyclopropylmethyl)propan-1-amine;2,2,2-trifluoroacetic acid

C9H16F3NO2 — CID 69413355

IUPACN-(cyclopropylmethyl)propan-1-amine;2,2,2-trifluoroacetic acid
SMILESCCCNCC1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H15N.C2HF3O2/c1-2-5-8-6-7-3-4-7;3-2(4,5)1(6)7/h7-8H,2-6H2,1H3;(H,6,7)
InChIKeyDTKQMJUWQCVFIN-UHFFFAOYSA-N
MW227.23 g/mol
LogP2.03
Rot. Bonds4

About N-(cyclopropylmethyl)propan-1-amine;2,2,2-trifluoroacetic acid

N-(cyclopropylmethyl)propan-1-amine;2,2,2-trifluoroacetic acid (PubChem CID 69413355) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is N-(cyclopropylmethyl)propan-1-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(cyclopropylmethyl)propan-1-amine;2,2,2-trifluoroacetic acid
PubChem CID69413355
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC NameN-(cyclopropylmethyl)propan-1-amine;2,2,2-trifluoroacetic acid
SMILESCCCNCC1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H15N.C2HF3O2/c1-2-5-8-6-7-3-4-7;3-2(4,5)1(6)7/h7-8H,2-6H2,1H3;(H,6,7)
InChIKeyDTKQMJUWQCVFIN-UHFFFAOYSA-N
XLogP2.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(cyclopropylmethyl)propan-1-amine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)propan-1-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(cyclopropylmethyl)propan-1-amine;2,2,2-trifluoroacetic acid (CID 69413355) is N-(cyclopropylmethyl)propan-1-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(cyclopropylmethyl)propan-1-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(cyclopropylmethyl)propan-1-amine;2,2,2-trifluoroacetic acid is CCCNCC1CC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(cyclopropylmethyl)propan-1-amine;2,2,2-trifluoroacetic acid?
The InChIKey is DTKQMJUWQCVFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C2HF3O2/c1-2-5-8-6-7-3-4-7;3-2(4,5)1(6)7/h7-8H,2-6H2,1H3;(H,6,7).
What are the key properties of N-(cyclopropylmethyl)propan-1-amine;2,2,2-trifluoroacetic acid?
N-(cyclopropylmethyl)propan-1-amine;2,2,2-trifluoroacetic acid has a molecular weight of 227.23 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)propan-1-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69413355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).