N,4-dimethyl-2-[(2-methylpropylamino)methyl]-N-propylaniline

C16H28N2 — CID 114054951

IUPACN,4-dimethyl-2-[(2-methylpropylamino)methyl]-N-propylaniline
SMILESCCCN(C)c1ccc(C)cc1CNCC(C)C
InChIInChI=1S/C16H28N2/c1-6-9-18(5)16-8-7-14(4)10-15(16)12-17-11-13(2)3/h7-8,10,13,17H,6,9,11-12H2,1-5H3
InChIKeyUFQDLEOHABMAHH-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.59
Rot. Bonds7

About N,4-dimethyl-2-[(2-methylpropylamino)methyl]-N-propylaniline

N,4-dimethyl-2-[(2-methylpropylamino)methyl]-N-propylaniline (PubChem CID 114054951) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N,4-dimethyl-2-[(2-methylpropylamino)methyl]-N-propylaniline.

Molecular Properties

Compound NameN,4-dimethyl-2-[(2-methylpropylamino)methyl]-N-propylaniline
PubChem CID114054951
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN,4-dimethyl-2-[(2-methylpropylamino)methyl]-N-propylaniline
SMILESCCCN(C)c1ccc(C)cc1CNCC(C)C
InChIInChI=1S/C16H28N2/c1-6-9-18(5)16-8-7-14(4)10-15(16)12-17-11-13(2)3/h7-8,10,13,17H,6,9,11-12H2,1-5H3
InChIKeyUFQDLEOHABMAHH-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(ethylaminomethyl)-N-methyl-N-propylaniline
CID 114848022
4-chloro-N-(3-methoxypropyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
CID 114850889
N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-pentylaniline
CID 63553375
N,N,N'-trimethyl-N'-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]propane-1,3-diamine
CID 63699204
4-chloro-N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
CID 114850364
2-[2-[(2-methoxyethylamino)methyl]-N,4-dimethylanilino]ethanol
CID 114055007
N,N-dimethyl-2-[(2-methylpropylamino)methyl]aniline
CID 63058925
5-bromo-N-(2-methoxyethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
CID 55146082
5-bromo-N-methyl-2-[(2-methylpropylamino)methyl]-N-(2-methylsulfanylethyl)aniline
CID 112662299
N-[[2-(ethoxymethoxy)-5-methylphenyl]methyl]-2-methylpropan-1-amine
CID 65369408
4-fluoro-N-methyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline
CID 43313970
4-bromo-2-(ethylaminomethyl)-N-methyl-N-(3-methylbutyl)aniline
CID 114061769

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-[(2-methylpropylamino)methyl]-N-propylaniline?
The IUPAC name of N,4-dimethyl-2-[(2-methylpropylamino)methyl]-N-propylaniline (CID 114054951) is N,4-dimethyl-2-[(2-methylpropylamino)methyl]-N-propylaniline.
What is the SMILES notation for N,4-dimethyl-2-[(2-methylpropylamino)methyl]-N-propylaniline?
The canonical SMILES for N,4-dimethyl-2-[(2-methylpropylamino)methyl]-N-propylaniline is CCCN(C)c1ccc(C)cc1CNCC(C)C.
What is the InChIKey of N,4-dimethyl-2-[(2-methylpropylamino)methyl]-N-propylaniline?
The InChIKey is UFQDLEOHABMAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-6-9-18(5)16-8-7-14(4)10-15(16)12-17-11-13(2)3/h7-8,10,13,17H,6,9,11-12H2,1-5H3.
What are the key properties of N,4-dimethyl-2-[(2-methylpropylamino)methyl]-N-propylaniline?
N,4-dimethyl-2-[(2-methylpropylamino)methyl]-N-propylaniline has a molecular weight of 248.41 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-[(2-methylpropylamino)methyl]-N-propylaniline is sourced from PubChem (CID 114054951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).