N-[[3-(2,3-dimethylphenyl)-2,2-dimethylcyclopropyl]methyl]ethanamine

C16H25N — CID 114229514

IUPACN-[[3-(2,3-dimethylphenyl)-2,2-dimethylcyclopropyl]methyl]ethanamine
SMILESCCNCC1C(c2cccc(C)c2C)C1(C)C
InChIInChI=1S/C16H25N/c1-6-17-10-14-15(16(14,4)5)13-9-7-8-11(2)12(13)3/h7-9,14-15,17H,6,10H2,1-5H3
InChIKeyDKJWKLAUHKQXGS-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.65
Rot. Bonds4

About N-[[3-(2,3-dimethylphenyl)-2,2-dimethylcyclopropyl]methyl]ethanamine

N-[[3-(2,3-dimethylphenyl)-2,2-dimethylcyclopropyl]methyl]ethanamine (PubChem CID 114229514) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[[3-(2,3-dimethylphenyl)-2,2-dimethylcyclopropyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2,3-dimethylphenyl)-2,2-dimethylcyclopropyl]methyl]ethanamine
PubChem CID114229514
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[[3-(2,3-dimethylphenyl)-2,2-dimethylcyclopropyl]methyl]ethanamine
SMILESCCNCC1C(c2cccc(C)c2C)C1(C)C
InChIInChI=1S/C16H25N/c1-6-17-10-14-15(16(14,4)5)13-9-7-8-11(2)12(13)3/h7-9,14-15,17H,6,10H2,1-5H3
InChIKeyDKJWKLAUHKQXGS-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,3-dimethylphenyl)-2,2-dimethylcyclopropyl]methyl]ethanamine?
The IUPAC name of N-[[3-(2,3-dimethylphenyl)-2,2-dimethylcyclopropyl]methyl]ethanamine (CID 114229514) is N-[[3-(2,3-dimethylphenyl)-2,2-dimethylcyclopropyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2,3-dimethylphenyl)-2,2-dimethylcyclopropyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2,3-dimethylphenyl)-2,2-dimethylcyclopropyl]methyl]ethanamine is CCNCC1C(c2cccc(C)c2C)C1(C)C.
What is the InChIKey of N-[[3-(2,3-dimethylphenyl)-2,2-dimethylcyclopropyl]methyl]ethanamine?
The InChIKey is DKJWKLAUHKQXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-6-17-10-14-15(16(14,4)5)13-9-7-8-11(2)12(13)3/h7-9,14-15,17H,6,10H2,1-5H3.
What are the key properties of N-[[3-(2,3-dimethylphenyl)-2,2-dimethylcyclopropyl]methyl]ethanamine?
N-[[3-(2,3-dimethylphenyl)-2,2-dimethylcyclopropyl]methyl]ethanamine has a molecular weight of 231.38 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,3-dimethylphenyl)-2,2-dimethylcyclopropyl]methyl]ethanamine is sourced from PubChem (CID 114229514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).