N,N-dibutylbutan-1-amine;N,N-dimethylaniline

C20H38N2 — CID 19354348

IUPACN,N-dibutylbutan-1-amine;N,N-dimethylaniline
SMILESCCCCN(CCCC)CCCC.CN(C)c1ccccc1
InChIInChI=1S/C12H27N.C8H11N/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-9(2)8-6-4-3-5-7-8/h4-12H2,1-3H3;3-7H,1-2H3
InChIKeyMOHWYIMAPVWOAA-UHFFFAOYSA-N
MW306.54 g/mol
LogP5.44
Rot. Bonds10

About N,N-dibutylbutan-1-amine;N,N-dimethylaniline

N,N-dibutylbutan-1-amine;N,N-dimethylaniline (PubChem CID 19354348) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is N,N-dibutylbutan-1-amine;N,N-dimethylaniline.

Molecular Properties

Compound NameN,N-dibutylbutan-1-amine;N,N-dimethylaniline
PubChem CID19354348
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC NameN,N-dibutylbutan-1-amine;N,N-dimethylaniline
SMILESCCCCN(CCCC)CCCC.CN(C)c1ccccc1
InChIInChI=1S/C12H27N.C8H11N/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-9(2)8-6-4-3-5-7-8/h4-12H2,1-3H3;3-7H,1-2H3
InChIKeyMOHWYIMAPVWOAA-UHFFFAOYSA-N
XLogP5.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.54
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethylaniline;N,N-dipropylpropan-1-amine
CID 67813057
N,N-dibutylbutan-1-amine;phenol
CID 172785095
N,N-dimethylaniline
CID 70392672
butane;N,N-dibutylbutan-1-amine;bis(N,N-dimethyl-1-phenylmethanamine)
CID 90732406
N,N-dimethylaniline;N,N-diphenylaniline
CID 159990775
N-butyl-N-phenylaniline;hydrobromide
CID 70419495
N,N-dimethylaniline;mercury
CID 158660084
N,N-dimethylaniline;hydrofluoride
CID 160775229
CID 69241188
CID 69241188
N,N-dimethylaniline;hydron
CID 174471199
N,N-dimethylaniline;nickel
CID 158294400
N,N-dimethylaniline;osmium(4+)
CID 172845967

Frequently Asked Questions

What is the IUPAC name of N,N-dibutylbutan-1-amine;N,N-dimethylaniline?
The IUPAC name of N,N-dibutylbutan-1-amine;N,N-dimethylaniline (CID 19354348) is N,N-dibutylbutan-1-amine;N,N-dimethylaniline.
What is the SMILES notation for N,N-dibutylbutan-1-amine;N,N-dimethylaniline?
The canonical SMILES for N,N-dibutylbutan-1-amine;N,N-dimethylaniline is CCCCN(CCCC)CCCC.CN(C)c1ccccc1.
What is the InChIKey of N,N-dibutylbutan-1-amine;N,N-dimethylaniline?
The InChIKey is MOHWYIMAPVWOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.C8H11N/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-9(2)8-6-4-3-5-7-8/h4-12H2,1-3H3;3-7H,1-2H3.
What are the key properties of N,N-dibutylbutan-1-amine;N,N-dimethylaniline?
N,N-dibutylbutan-1-amine;N,N-dimethylaniline has a molecular weight of 306.54 g/mol, XLogP of 5.44, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutylbutan-1-amine;N,N-dimethylaniline is sourced from PubChem (CID 19354348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).