N,N-dibutylaniline;perchloric acid

C14H24ClNO4 — CID 71443116

IUPACN,N-dibutylaniline;perchloric acid
SMILESCCCCN(CCCC)c1ccccc1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C14H23N.ClHO4/c1-3-5-12-15(13-6-4-2)14-10-8-7-9-11-14;2-1(3,4)5/h7-11H,3-6,12-13H2,1-2H3;(H,2,3,4,5)
InChIKeySWECVVKERGXJMD-UHFFFAOYSA-N
MW305.80 g/mol
LogP-0.03
Rot. Bonds7

About N,N-dibutylaniline;perchloric acid

N,N-dibutylaniline;perchloric acid (PubChem CID 71443116) has the molecular formula C14H24ClNO4 and a molecular weight of 305.80 g/mol. Its IUPAC name is N,N-dibutylaniline;perchloric acid.

Molecular Properties

Compound NameN,N-dibutylaniline;perchloric acid
PubChem CID71443116
Molecular FormulaC14H24ClNO4
Molecular Weight305.80 g/mol
Exact Mass305.14
IUPAC NameN,N-dibutylaniline;perchloric acid
SMILESCCCCN(CCCC)c1ccccc1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C14H23N.ClHO4/c1-3-5-12-15(13-6-4-2)14-10-8-7-9-11-14;2-1(3,4)5/h7-11H,3-6,12-13H2,1-2H3;(H,2,3,4,5)
InChIKeySWECVVKERGXJMD-UHFFFAOYSA-N
XLogP-0.03
TPSA92.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.80
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-di(nonyl)aniline
CID 22637953
N-heptyl-N-pentylaniline
CID 154378615
3-(N-propylanilino)propan-1-ol
CID 101291000
N,N-dibutylaniline;propane;prop-1-ene
CID 142114632
2-(carboxymethoxy)acetic acid;N,N-dibutylaniline
CID 160531229
3-(N-butylanilino)propanamide
CID 63172183
1-(N-butylanilino)butan-2-ol
CID 63102235
N'-butyl-N-methyl-N'-phenylpentane-1,5-diamine
CID 64584472
N,N-dipropylaniline;ethane
CID 142135231
4-(N-butylanilino)-2-(ethylamino)-2-methylbutan-1-ol
CID 64811474
5-(N-butylanilino)-2-ethyl-2-(methylamino)pentan-1-ol
CID 106809636
5-(N-butylanilino)-2-(ethylamino)-2-methylpentan-1-ol
CID 64810841

Frequently Asked Questions

What is the IUPAC name of N,N-dibutylaniline;perchloric acid?
The IUPAC name of N,N-dibutylaniline;perchloric acid (CID 71443116) is N,N-dibutylaniline;perchloric acid.
What is the SMILES notation for N,N-dibutylaniline;perchloric acid?
The canonical SMILES for N,N-dibutylaniline;perchloric acid is CCCCN(CCCC)c1ccccc1.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of N,N-dibutylaniline;perchloric acid?
The InChIKey is SWECVVKERGXJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N.ClHO4/c1-3-5-12-15(13-6-4-2)14-10-8-7-9-11-14;2-1(3,4)5/h7-11H,3-6,12-13H2,1-2H3;(H,2,3,4,5).
What are the key properties of N,N-dibutylaniline;perchloric acid?
N,N-dibutylaniline;perchloric acid has a molecular weight of 305.80 g/mol, XLogP of -0.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutylaniline;perchloric acid is sourced from PubChem (CID 71443116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).