3-[(1R)-1-aminoethyl]-5-cyclopropylaniline

C11H16N2 — CID 164550405

IUPAC3-[(1R)-1-aminoethyl]-5-cyclopropylaniline
SMILESC[C@@H](N)c1cc(N)cc(C2CC2)c1
InChIInChI=1S/C11H16N2/c1-7(12)9-4-10(8-2-3-8)6-11(13)5-9/h4-8H,2-3,12-13H2,1H3/t7-/m1/s1
InChIKeyKLCSCEJMJLEEQV-SSDOTTSWSA-N
MW176.26 g/mol
LogP2.17
Rot. Bonds2

About 3-[(1R)-1-aminoethyl]-5-cyclopropylaniline

3-[(1R)-1-aminoethyl]-5-cyclopropylaniline (PubChem CID 164550405) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-[(1R)-1-aminoethyl]-5-cyclopropylaniline.

Molecular Properties

Compound Name3-[(1R)-1-aminoethyl]-5-cyclopropylaniline
PubChem CID164550405
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name3-[(1R)-1-aminoethyl]-5-cyclopropylaniline
SMILESC[C@@H](N)c1cc(N)cc(C2CC2)c1
InChIInChI=1S/C11H16N2/c1-7(12)9-4-10(8-2-3-8)6-11(13)5-9/h4-8H,2-3,12-13H2,1H3/t7-/m1/s1
InChIKeyKLCSCEJMJLEEQV-SSDOTTSWSA-N
XLogP2.17
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-aminoethyl]-5-cyclopropylaniline?
The IUPAC name of 3-[(1R)-1-aminoethyl]-5-cyclopropylaniline (CID 164550405) is 3-[(1R)-1-aminoethyl]-5-cyclopropylaniline.
What is the SMILES notation for 3-[(1R)-1-aminoethyl]-5-cyclopropylaniline?
The canonical SMILES for 3-[(1R)-1-aminoethyl]-5-cyclopropylaniline is C[C@@H](N)c1cc(N)cc(C2CC2)c1.
What is the InChIKey of 3-[(1R)-1-aminoethyl]-5-cyclopropylaniline?
The InChIKey is KLCSCEJMJLEEQV-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H16N2/c1-7(12)9-4-10(8-2-3-8)6-11(13)5-9/h4-8H,2-3,12-13H2,1H3/t7-/m1/s1.
What are the key properties of 3-[(1R)-1-aminoethyl]-5-cyclopropylaniline?
3-[(1R)-1-aminoethyl]-5-cyclopropylaniline has a molecular weight of 176.26 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-aminoethyl]-5-cyclopropylaniline is sourced from PubChem (CID 164550405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).