N,N-dipropylaniline;ethane

C16H31N — CID 142135231

IUPACN,N-dipropylaniline;ethane
SMILESCC.CC.CCCN(CCC)c1ccccc1
InChIInChI=1S/C12H19N.2C2H6/c1-3-10-13(11-4-2)12-8-6-5-7-9-12;2*1-2/h5-9H,3-4,10-11H2,1-2H3;2*1-2H3
InChIKeyAFYCXJQZURGKKQ-UHFFFAOYSA-N
MW237.43 g/mol
LogP5.37
Rot. Bonds5

About N,N-dipropylaniline;ethane

N,N-dipropylaniline;ethane (PubChem CID 142135231) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N,N-dipropylaniline;ethane.

Molecular Properties

Compound NameN,N-dipropylaniline;ethane
PubChem CID142135231
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN,N-dipropylaniline;ethane
SMILESCC.CC.CCCN(CCC)c1ccccc1
InChIInChI=1S/C12H19N.2C2H6/c1-3-10-13(11-4-2)12-8-6-5-7-9-12;2*1-2/h5-9H,3-4,10-11H2,1-2H3;2*1-2H3
InChIKeyAFYCXJQZURGKKQ-UHFFFAOYSA-N
XLogP5.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.43
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
CID 70004923
3-(N-propylanilino)propan-1-ol
CID 101291000
N-benzyl-N-propylaniline
CID 14671265
aniline;4-N,4-N-dipropylbenzene-1,4-diamine
CID 174806635
N,N-di(nonyl)aniline
CID 22637953
N-heptyl-N-pentylaniline
CID 154378615
1-N-phenyl-4-N,4-N-dipropylbenzene-1,4-diamine
CID 18669796
N,N-dimethylaniline;N,N-dipropylpropan-1-amine
CID 67813057
ethane;4-methyl-N,N-dipropylaniline
CID 143993396
N-(3-methylheptyl)-N-propylaniline
CID 67790396
N-prop-2-enyl-N-propylaniline;hydrochloride
CID 131737394
N,N-diethylaniline
CID 7061

Frequently Asked Questions

What is the IUPAC name of N,N-dipropylaniline;ethane?
The IUPAC name of N,N-dipropylaniline;ethane (CID 142135231) is N,N-dipropylaniline;ethane.
What is the SMILES notation for N,N-dipropylaniline;ethane?
The canonical SMILES for N,N-dipropylaniline;ethane is CC.CC.CCCN(CCC)c1ccccc1.
What is the InChIKey of N,N-dipropylaniline;ethane?
The InChIKey is AFYCXJQZURGKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N.2C2H6/c1-3-10-13(11-4-2)12-8-6-5-7-9-12;2*1-2/h5-9H,3-4,10-11H2,1-2H3;2*1-2H3.
What are the key properties of N,N-dipropylaniline;ethane?
N,N-dipropylaniline;ethane has a molecular weight of 237.43 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropylaniline;ethane is sourced from PubChem (CID 142135231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).