ethane;4-methyl-N,N-dipentylaniline

C21H41N — CID 144729542

IUPACethane;4-methyl-N,N-dipentylaniline
SMILESCC.CC.CCCCCN(CCCCC)c1ccc(C)cc1
InChIInChI=1S/C17H29N.2C2H6/c1-4-6-8-14-18(15-9-7-5-2)17-12-10-16(3)11-13-17;2*1-2/h10-13H,4-9,14-15H2,1-3H3;2*1-2H3
InChIKeyRZHHHSVUMDQCKM-UHFFFAOYSA-N
MW307.57 g/mol
LogP7.23
Rot. Bonds9

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

ethane;4-methyl-N,N-dipentylaniline (PubChem CID 144729542) has the molecular formula C21H41N and a molecular weight of 307.57 g/mol. Its IUPAC name is ethane;4-methyl-N,N-dipentylaniline.

Molecular Properties

Compound Nameethane;4-methyl-N,N-dipentylaniline
PubChem CID144729542
Molecular FormulaC21H41N
Molecular Weight307.57 g/mol
Exact Mass307.32
IUPAC Nameethane;4-methyl-N,N-dipentylaniline
SMILESCC.CC.CCCCCN(CCCCC)c1ccc(C)cc1
InChIInChI=1S/C17H29N.2C2H6/c1-4-6-8-14-18(15-9-7-5-2)17-12-10-16(3)11-13-17;2*1-2/h10-13H,4-9,14-15H2,1-3H3;2*1-2H3
InChIKeyRZHHHSVUMDQCKM-UHFFFAOYSA-N
XLogP7.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.57
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-diheptyl-4-methylaniline
CID 20558578
1-N,1-N,4-N,4-N-tetraoctylbenzene-1,4-diamine
CID 71367267
ethane;4-methyl-N,N-dipropylaniline
CID 143993396
4-fluoro-N,N-dioctylaniline
CID 91747748
4-N-heptyl-4-N-hexylbenzene-1,4-diamine
CID 143490838
4-[nonyl(pentyl)amino]phenol
CID 174874757
N,N-di(nonyl)aniline
CID 22637953
N-heptyl-N-pentylaniline
CID 154378615
4-[2-[4-(dihexylamino)phenyl]ethynyl]-N,N-dihexylaniline
CID 102578786
N-butyl-N,4-dimethylaniline;ethane
CID 176937760
4-N-nonyl-4-N-propylbenzene-1,4-diamine
CID 63532780
N,4-dibutyl-N-octylaniline
CID 175203597

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-N,N-dipentylaniline?
The IUPAC name of ethane;4-methyl-N,N-dipentylaniline (CID 144729542) is ethane;4-methyl-N,N-dipentylaniline.
What is the SMILES notation for ethane;4-methyl-N,N-dipentylaniline?
The canonical SMILES for ethane;4-methyl-N,N-dipentylaniline is CC.CC.CCCCCN(CCCCC)c1ccc(C)cc1.
What is the InChIKey of ethane;4-methyl-N,N-dipentylaniline?
The InChIKey is RZHHHSVUMDQCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N.2C2H6/c1-4-6-8-14-18(15-9-7-5-2)17-12-10-16(3)11-13-17;2*1-2/h10-13H,4-9,14-15H2,1-3H3;2*1-2H3.
What are the key properties of ethane;4-methyl-N,N-dipentylaniline?
ethane;4-methyl-N,N-dipentylaniline has a molecular weight of 307.57 g/mol, XLogP of 7.23, 9 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-dipentylaniline is sourced from PubChem (CID 144729542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).