2-(3-aminopropyl)-4-ethyl-N,N-dimethylaniline

C13H22N2 — CID 115113347

IUPAC2-(3-aminopropyl)-4-ethyl-N,N-dimethylaniline
SMILESCCc1ccc(N(C)C)c(CCCN)c1
InChIInChI=1S/C13H22N2/c1-4-11-7-8-13(15(2)3)12(10-11)6-5-9-14/h7-8,10H,4-6,9,14H2,1-3H3
InChIKeyIACJNVWIXDXPAV-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.21
Rot. Bonds5

About 2-(3-aminopropyl)-4-ethyl-N,N-dimethylaniline

2-(3-aminopropyl)-4-ethyl-N,N-dimethylaniline (PubChem CID 115113347) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-(3-aminopropyl)-4-ethyl-N,N-dimethylaniline.

Molecular Properties

Compound Name2-(3-aminopropyl)-4-ethyl-N,N-dimethylaniline
PubChem CID115113347
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-(3-aminopropyl)-4-ethyl-N,N-dimethylaniline
SMILESCCc1ccc(N(C)C)c(CCCN)c1
InChIInChI=1S/C13H22N2/c1-4-11-7-8-13(15(2)3)12(10-11)6-5-9-14/h7-8,10H,4-6,9,14H2,1-3H3
InChIKeyIACJNVWIXDXPAV-UHFFFAOYSA-N
XLogP2.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline
CID 115113362
3-(4-ethyl-2-methoxyphenyl)propan-1-amine
CID 83878516
4-(3,4-diethylphenyl)butan-1-amine
CID 115483378
5-(3-aminopropyl)-2-bromo-N,N-dimethylaniline
CID 115113337
2-(2,5-diethylphenyl)ethanamine
CID 117277667
4-(3-aminopropyl)-N,N-dimethyl-2-nitroaniline
CID 170867494
4-ethyl-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline
CID 117111686
4-(2-aminoethyl)-N,N,2-trimethylaniline
CID 18543495
4-ethyl-2-methyl-1-pentylbenzene
CID 143596455
5-(4-aminobutyl)-2-bromo-N,N-dimethylaniline
CID 117115684
4-(6-ethyl-2-methylquinolin-4-yl)butan-1-amine
CID 82577783
4-ethyl-1-(3-fluoropropyl)-2-methylbenzene
CID 130372801

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-4-ethyl-N,N-dimethylaniline?
The IUPAC name of 2-(3-aminopropyl)-4-ethyl-N,N-dimethylaniline (CID 115113347) is 2-(3-aminopropyl)-4-ethyl-N,N-dimethylaniline.
What is the SMILES notation for 2-(3-aminopropyl)-4-ethyl-N,N-dimethylaniline?
The canonical SMILES for 2-(3-aminopropyl)-4-ethyl-N,N-dimethylaniline is CCc1ccc(N(C)C)c(CCCN)c1.
What is the InChIKey of 2-(3-aminopropyl)-4-ethyl-N,N-dimethylaniline?
The InChIKey is IACJNVWIXDXPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-11-7-8-13(15(2)3)12(10-11)6-5-9-14/h7-8,10H,4-6,9,14H2,1-3H3.
What are the key properties of 2-(3-aminopropyl)-4-ethyl-N,N-dimethylaniline?
2-(3-aminopropyl)-4-ethyl-N,N-dimethylaniline has a molecular weight of 206.33 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-4-ethyl-N,N-dimethylaniline is sourced from PubChem (CID 115113347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).