N,N-dimethylbutan-1-amine;N-methylaniline

C13H24N2 — CID 174844053

IUPACN,N-dimethylbutan-1-amine;N-methylaniline
SMILESCCCCN(C)C.CNc1ccccc1
InChIInChI=1S/C7H9N.C6H15N/c1-8-7-5-3-2-4-6-7;1-4-5-6-7(2)3/h2-6,8H,1H3;4-6H2,1-3H3
InChIKeyPWXBOBAOYJCNET-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.08
Rot. Bonds4

About N,N-dimethylbutan-1-amine;N-methylaniline

N,N-dimethylbutan-1-amine;N-methylaniline (PubChem CID 174844053) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N,N-dimethylbutan-1-amine;N-methylaniline.

Molecular Properties

Compound NameN,N-dimethylbutan-1-amine;N-methylaniline
PubChem CID174844053
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN,N-dimethylbutan-1-amine;N-methylaniline
SMILESCCCCN(C)C.CNc1ccccc1
InChIInChI=1S/C7H9N.C6H15N/c1-8-7-5-3-2-4-6-7;1-4-5-6-7(2)3/h2-6,8H,1H3;4-6H2,1-3H3
InChIKeyPWXBOBAOYJCNET-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

butane;ethane;N-methylaniline
CID 143420786
CID 157283458
CID 157283458
1-butyl-2-methyl-1-phenylhydrazine
CID 141440715
magnesium;N-methylaniline;bromide
CID 173157225
potassium;hydride;N-methylaniline
CID 174147350
N,N-dimethylbutan-1-amine;dihydrochloride
CID 174248401
N,N-dibutylbutan-1-amine;N,N-dimethylaniline
CID 19354348
N-butyl-N-phenylaniline;hydrobromide
CID 70419495
N,N-dimethylhexan-1-amine;1,2-diphenylethane-1,2-dione
CID 69012000
1,1-dibutyl-3-phenylthiourea
CID 3101699
magnesium;hydride;N-methylaniline;hydrobromide
CID 173230530
N,N-dimethylbutan-1-amine;ethane;methane
CID 142050981

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylbutan-1-amine;N-methylaniline?
The IUPAC name of N,N-dimethylbutan-1-amine;N-methylaniline (CID 174844053) is N,N-dimethylbutan-1-amine;N-methylaniline.
What is the SMILES notation for N,N-dimethylbutan-1-amine;N-methylaniline?
The canonical SMILES for N,N-dimethylbutan-1-amine;N-methylaniline is CCCCN(C)C.CNc1ccccc1.
What is the InChIKey of N,N-dimethylbutan-1-amine;N-methylaniline?
The InChIKey is PWXBOBAOYJCNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C6H15N/c1-8-7-5-3-2-4-6-7;1-4-5-6-7(2)3/h2-6,8H,1H3;4-6H2,1-3H3.
What are the key properties of N,N-dimethylbutan-1-amine;N-methylaniline?
N,N-dimethylbutan-1-amine;N-methylaniline has a molecular weight of 208.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylbutan-1-amine;N-methylaniline is sourced from PubChem (CID 174844053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).