4-[(1R,2R)-2-(aminomethyl)cyclopropyl]-N,N-diethylaniline

C14H22N2 — CID 94971950

IUPAC4-[(1R,2R)-2-(aminomethyl)cyclopropyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc([C@@H]2C[C@H]2CN)cc1
InChIInChI=1S/C14H22N2/c1-3-16(4-2)13-7-5-11(6-8-13)14-9-12(14)10-15/h5-8,12,14H,3-4,9-10,15H2,1-2H3/t12-,14-/m0/s1
InChIKeyIZPPELIVXYQZQR-JSGCOSHPSA-N
MW218.34 g/mol
LogP2.60
Rot. Bonds5

About 4-[(1R,2R)-2-(aminomethyl)cyclopropyl]-N,N-diethylaniline

4-[(1R,2R)-2-(aminomethyl)cyclopropyl]-N,N-diethylaniline (PubChem CID 94971950) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-[(1R,2R)-2-(aminomethyl)cyclopropyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[(1R,2R)-2-(aminomethyl)cyclopropyl]-N,N-diethylaniline
PubChem CID94971950
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4-[(1R,2R)-2-(aminomethyl)cyclopropyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc([C@@H]2C[C@H]2CN)cc1
InChIInChI=1S/C14H22N2/c1-3-16(4-2)13-7-5-11(6-8-13)14-9-12(14)10-15/h5-8,12,14H,3-4,9-10,15H2,1-2H3/t12-,14-/m0/s1
InChIKeyIZPPELIVXYQZQR-JSGCOSHPSA-N
XLogP2.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2R)-2-(aminomethyl)cyclopropyl]-N,N-diethylaniline?
The IUPAC name of 4-[(1R,2R)-2-(aminomethyl)cyclopropyl]-N,N-diethylaniline (CID 94971950) is 4-[(1R,2R)-2-(aminomethyl)cyclopropyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[(1R,2R)-2-(aminomethyl)cyclopropyl]-N,N-diethylaniline?
The canonical SMILES for 4-[(1R,2R)-2-(aminomethyl)cyclopropyl]-N,N-diethylaniline is CCN(CC)c1ccc([C@@H]2C[C@H]2CN)cc1.
What is the InChIKey of 4-[(1R,2R)-2-(aminomethyl)cyclopropyl]-N,N-diethylaniline?
The InChIKey is IZPPELIVXYQZQR-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-16(4-2)13-7-5-11(6-8-13)14-9-12(14)10-15/h5-8,12,14H,3-4,9-10,15H2,1-2H3/t12-,14-/m0/s1.
What are the key properties of 4-[(1R,2R)-2-(aminomethyl)cyclopropyl]-N,N-diethylaniline?
4-[(1R,2R)-2-(aminomethyl)cyclopropyl]-N,N-diethylaniline has a molecular weight of 218.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2R)-2-(aminomethyl)cyclopropyl]-N,N-diethylaniline is sourced from PubChem (CID 94971950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).