2-(cyclopropylmethyl)-N,N-dimethylaniline

C12H17N — CID 90792914

IUPAC2-(cyclopropylmethyl)-N,N-dimethylaniline
SMILESCN(C)c1ccccc1CC1CC1
InChIInChI=1S/C12H17N/c1-13(2)12-6-4-3-5-11(12)9-10-7-8-10/h3-6,10H,7-9H2,1-2H3
InChIKeyRDLKXSYTUVGKRT-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.71
Rot. Bonds3

About 2-(cyclopropylmethyl)-N,N-dimethylaniline

2-(cyclopropylmethyl)-N,N-dimethylaniline (PubChem CID 90792914) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-N,N-dimethylaniline
PubChem CID90792914
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name2-(cyclopropylmethyl)-N,N-dimethylaniline
SMILESCN(C)c1ccccc1CC1CC1
InChIInChI=1S/C12H17N/c1-13(2)12-6-4-3-5-11(12)9-10-7-8-10/h3-6,10H,7-9H2,1-2H3
InChIKeyRDLKXSYTUVGKRT-UHFFFAOYSA-N
XLogP2.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-N,N-dimethylaniline?
The IUPAC name of 2-(cyclopropylmethyl)-N,N-dimethylaniline (CID 90792914) is 2-(cyclopropylmethyl)-N,N-dimethylaniline.
What is the SMILES notation for 2-(cyclopropylmethyl)-N,N-dimethylaniline?
The canonical SMILES for 2-(cyclopropylmethyl)-N,N-dimethylaniline is CN(C)c1ccccc1CC1CC1.
What is the InChIKey of 2-(cyclopropylmethyl)-N,N-dimethylaniline?
The InChIKey is RDLKXSYTUVGKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-13(2)12-6-4-3-5-11(12)9-10-7-8-10/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 2-(cyclopropylmethyl)-N,N-dimethylaniline?
2-(cyclopropylmethyl)-N,N-dimethylaniline has a molecular weight of 175.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-N,N-dimethylaniline is sourced from PubChem (CID 90792914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).