4-[1-(2-aminoethyl)cyclopropyl]-N,N-dimethylaniline

C13H20N2 — CID 82396466

IUPAC4-[1-(2-aminoethyl)cyclopropyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2(CCN)CC2)cc1
InChIInChI=1S/C13H20N2/c1-15(2)12-5-3-11(4-6-12)13(7-8-13)9-10-14/h3-6H,7-10,14H2,1-2H3
InChIKeyVDEHVVVNRCVOLJ-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.13
Rot. Bonds4

About 4-[1-(2-aminoethyl)cyclopropyl]-N,N-dimethylaniline

4-[1-(2-aminoethyl)cyclopropyl]-N,N-dimethylaniline (PubChem CID 82396466) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 4-[1-(2-aminoethyl)cyclopropyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[1-(2-aminoethyl)cyclopropyl]-N,N-dimethylaniline
PubChem CID82396466
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name4-[1-(2-aminoethyl)cyclopropyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2(CCN)CC2)cc1
InChIInChI=1S/C13H20N2/c1-15(2)12-5-3-11(4-6-12)13(7-8-13)9-10-14/h3-6H,7-10,14H2,1-2H3
InChIKeyVDEHVVVNRCVOLJ-UHFFFAOYSA-N
XLogP2.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-aminoethyl)cyclopropyl]-N,N-dimethylaniline?
The IUPAC name of 4-[1-(2-aminoethyl)cyclopropyl]-N,N-dimethylaniline (CID 82396466) is 4-[1-(2-aminoethyl)cyclopropyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[1-(2-aminoethyl)cyclopropyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[1-(2-aminoethyl)cyclopropyl]-N,N-dimethylaniline is CN(C)c1ccc(C2(CCN)CC2)cc1.
What is the InChIKey of 4-[1-(2-aminoethyl)cyclopropyl]-N,N-dimethylaniline?
The InChIKey is VDEHVVVNRCVOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-15(2)12-5-3-11(4-6-12)13(7-8-13)9-10-14/h3-6H,7-10,14H2,1-2H3.
What are the key properties of 4-[1-(2-aminoethyl)cyclopropyl]-N,N-dimethylaniline?
4-[1-(2-aminoethyl)cyclopropyl]-N,N-dimethylaniline has a molecular weight of 204.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-aminoethyl)cyclopropyl]-N,N-dimethylaniline is sourced from PubChem (CID 82396466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).