N,N-dibutylaniline;propane;prop-1-ene

C23H45N — CID 142114632

IUPACN,N-dibutylaniline;propane;prop-1-ene
SMILESC=CC.CCC.CCC.CCCCN(CCCC)c1ccccc1
InChIInChI=1S/C14H23N.2C3H8.C3H6/c1-3-5-12-15(13-6-4-2)14-10-8-7-9-11-14;3*1-3-2/h7-11H,3-6,12-13H2,1-2H3;2*3H2,1-2H3;3H,1H2,2H3
InChIKeyWRBFLCHGCZZCEX-UHFFFAOYSA-N
MW335.62 g/mol
LogP8.12
Rot. Bonds7

About N,N-dibutylaniline;propane;prop-1-ene

N,N-dibutylaniline;propane;prop-1-ene (PubChem CID 142114632) has the molecular formula C23H45N and a molecular weight of 335.62 g/mol. Its IUPAC name is N,N-dibutylaniline;propane;prop-1-ene.

Molecular Properties

Compound NameN,N-dibutylaniline;propane;prop-1-ene
PubChem CID142114632
Molecular FormulaC23H45N
Molecular Weight335.62 g/mol
Exact Mass335.36
IUPAC NameN,N-dibutylaniline;propane;prop-1-ene
SMILESC=CC.CCC.CCC.CCCCN(CCCC)c1ccccc1
InChIInChI=1S/C14H23N.2C3H8.C3H6/c1-3-5-12-15(13-6-4-2)14-10-8-7-9-11-14;3*1-3-2/h7-11H,3-6,12-13H2,1-2H3;2*3H2,1-2H3;3H,1H2,2H3
InChIKeyWRBFLCHGCZZCEX-UHFFFAOYSA-N
XLogP8.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.62
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-Dimethylaniline
CID 949
C.I. Solvent Yellow 2
CID 6053
N-Methylaniline
CID 7515
N-Ethylaniline
CID 7670
N,N-dimethyl-p-phenylenediamine
CID 7472
N,N-Diethyl-p-phenylenediamine
CID 7120
N,N-Diethylaniline
CID 7061
N-Isopropylaniline
CID 13032
N,N,N',N'-tetramethyl-p-phenylenediamine
CID 7490
N,N'-Di-sec-butyl-p-phenylenediamine
CID 7589
1,1-Dimethyl-4-phenylpiperazinium iodide
CID 5911
Trimethylphenylammonium iodide
CID 94135

Frequently Asked Questions

What is the IUPAC name of N,N-dibutylaniline;propane;prop-1-ene?
The IUPAC name of N,N-dibutylaniline;propane;prop-1-ene (CID 142114632) is N,N-dibutylaniline;propane;prop-1-ene.
What is the SMILES notation for N,N-dibutylaniline;propane;prop-1-ene?
The canonical SMILES for N,N-dibutylaniline;propane;prop-1-ene is C=CC.CCC.CCC.CCCCN(CCCC)c1ccccc1.
What is the InChIKey of N,N-dibutylaniline;propane;prop-1-ene?
The InChIKey is WRBFLCHGCZZCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N.2C3H8.C3H6/c1-3-5-12-15(13-6-4-2)14-10-8-7-9-11-14;3*1-3-2/h7-11H,3-6,12-13H2,1-2H3;2*3H2,1-2H3;3H,1H2,2H3.
What are the key properties of N,N-dibutylaniline;propane;prop-1-ene?
N,N-dibutylaniline;propane;prop-1-ene has a molecular weight of 335.62 g/mol, XLogP of 8.12, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutylaniline;propane;prop-1-ene is sourced from PubChem (CID 142114632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).