ethane;4-methyl-N,N-dipropylaniline

C17H33N — CID 143993396

IUPACethane;4-methyl-N,N-dipropylaniline
SMILESCC.CC.CCCN(CCC)c1ccc(C)cc1
InChIInChI=1S/C13H21N.2C2H6/c1-4-10-14(11-5-2)13-8-6-12(3)7-9-13;2*1-2/h6-9H,4-5,10-11H2,1-3H3;2*1-2H3
InChIKeyDUGIUPHACWAZCF-UHFFFAOYSA-N
MW251.46 g/mol
LogP5.67
Rot. Bonds5

About ethane;4-methyl-N,N-dipropylaniline

ethane;4-methyl-N,N-dipropylaniline (PubChem CID 143993396) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is ethane;4-methyl-N,N-dipropylaniline.

Molecular Properties

Compound Nameethane;4-methyl-N,N-dipropylaniline
PubChem CID143993396
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Nameethane;4-methyl-N,N-dipropylaniline
SMILESCC.CC.CCCN(CCC)c1ccc(C)cc1
InChIInChI=1S/C13H21N.2C2H6/c1-4-10-14(11-5-2)13-8-6-12(3)7-9-13;2*1-2/h6-9H,4-5,10-11H2,1-3H3;2*1-2H3
InChIKeyDUGIUPHACWAZCF-UHFFFAOYSA-N
XLogP5.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.46
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
CID 70004923
1-chloro-4-methylbenzene;4-methyl-N,N-dipropylaniline
CID 142864428
N,N-dimethyl-N'-(4-methylphenyl)-N'-propylethane-1,2-diamine
CID 58662077
ethane;4-methyl-N,N-dipentylaniline
CID 144729542
N,N-diheptyl-4-methylaniline
CID 20558578
2-(4-methyl-N-propylanilino)acetic acid
CID 19875097
N,N-dipropylaniline;ethane
CID 142135231
1,2-bis(4-methylphenyl)-1,2-dipropylhydrazine
CID 135017114
N,4-dimethyl-N-propylaniline
CID 14671247
4-N,4-N-dipropylbenzene-1,4-diamine
CID 10219779
4-bromo-N,N-dipropylaniline
CID 10445113
4-[4,4-bis(4-methylphenyl)-1-phenylbuta-1,3-dienyl]-N,N-dipropylaniline
CID 54020177

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-N,N-dipropylaniline?
The IUPAC name of ethane;4-methyl-N,N-dipropylaniline (CID 143993396) is ethane;4-methyl-N,N-dipropylaniline.
What is the SMILES notation for ethane;4-methyl-N,N-dipropylaniline?
The canonical SMILES for ethane;4-methyl-N,N-dipropylaniline is CC.CC.CCCN(CCC)c1ccc(C)cc1.
What is the InChIKey of ethane;4-methyl-N,N-dipropylaniline?
The InChIKey is DUGIUPHACWAZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N.2C2H6/c1-4-10-14(11-5-2)13-8-6-12(3)7-9-13;2*1-2/h6-9H,4-5,10-11H2,1-3H3;2*1-2H3.
What are the key properties of ethane;4-methyl-N,N-dipropylaniline?
ethane;4-methyl-N,N-dipropylaniline has a molecular weight of 251.46 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-N,N-dipropylaniline is sourced from PubChem (CID 143993396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).