1-butyl-4-methylbenzene;N,N-dipropylbutan-1-amine;ethane

C23H45N — CID 156867707

IUPAC1-butyl-4-methylbenzene;N,N-dipropylbutan-1-amine;ethane
SMILESCC.CCCCN(CCC)CCC.CCCCc1ccc(C)cc1
InChIInChI=1S/C11H16.C10H23N.C2H6/c1-3-4-5-11-8-6-10(2)7-9-11;1-4-7-10-11(8-5-2)9-6-3;1-2/h6-9H,3-5H2,1-2H3;4-10H2,1-3H3;1-2H3
InChIKeyNNSMARCNQRXFFT-UHFFFAOYSA-N
MW335.62 g/mol
LogP7.27
Rot. Bonds10

About 1-butyl-4-methylbenzene;N,N-dipropylbutan-1-amine;ethane

1-butyl-4-methylbenzene;N,N-dipropylbutan-1-amine;ethane (PubChem CID 156867707) has the molecular formula C23H45N and a molecular weight of 335.62 g/mol. Its IUPAC name is 1-butyl-4-methylbenzene;N,N-dipropylbutan-1-amine;ethane.

Molecular Properties

Compound Name1-butyl-4-methylbenzene;N,N-dipropylbutan-1-amine;ethane
PubChem CID156867707
Molecular FormulaC23H45N
Molecular Weight335.62 g/mol
Exact Mass335.36
IUPAC Name1-butyl-4-methylbenzene;N,N-dipropylbutan-1-amine;ethane
SMILESCC.CCCCN(CCC)CCC.CCCCc1ccc(C)cc1
InChIInChI=1S/C11H16.C10H23N.C2H6/c1-3-4-5-11-8-6-10(2)7-9-11;1-4-7-10-11(8-5-2)9-6-3;1-2/h6-9H,3-5H2,1-2H3;4-10H2,1-3H3;1-2H3
InChIKeyNNSMARCNQRXFFT-UHFFFAOYSA-N
XLogP7.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.62
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[butyl-[3-(4-methylphenyl)propyl]amino]ethanol
CID 138716721
1-butyl-4-methylbenzene;N-methylmethanamine
CID 143818952
1-butyl-4-methylbenzene;trifluoroalumane
CID 175081213
1-methyl-4-octylbenzene
CID 11052746
4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 58789445
N-butyl-N-[3-(4-chlorophenyl)propyl]butan-1-amine
CID 151532022
1-butyl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane
CID 164906830
4-N-(4-butylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(4-propylphenyl)benzene-1,4-diamine
CID 163431487
carbon dioxide;1-methyl-4-pentylbenzene
CID 161302666
1-butyl-4-methylbenzene;1-ethyl-4-methylbenzene;1-methyl-4-propylbenzene
CID 159106327
1-butyl-4-methylbenzene;formic acid
CID 177221373
N-(2-chloroethyl)-N-[(4-methylphenyl)methyl]butan-1-amine
CID 63389176

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-methylbenzene;N,N-dipropylbutan-1-amine;ethane?
The IUPAC name of 1-butyl-4-methylbenzene;N,N-dipropylbutan-1-amine;ethane (CID 156867707) is 1-butyl-4-methylbenzene;N,N-dipropylbutan-1-amine;ethane.
What is the SMILES notation for 1-butyl-4-methylbenzene;N,N-dipropylbutan-1-amine;ethane?
The canonical SMILES for 1-butyl-4-methylbenzene;N,N-dipropylbutan-1-amine;ethane is CC.CCCCN(CCC)CCC.CCCCc1ccc(C)cc1.
What is the InChIKey of 1-butyl-4-methylbenzene;N,N-dipropylbutan-1-amine;ethane?
The InChIKey is NNSMARCNQRXFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C10H23N.C2H6/c1-3-4-5-11-8-6-10(2)7-9-11;1-4-7-10-11(8-5-2)9-6-3;1-2/h6-9H,3-5H2,1-2H3;4-10H2,1-3H3;1-2H3.
What are the key properties of 1-butyl-4-methylbenzene;N,N-dipropylbutan-1-amine;ethane?
1-butyl-4-methylbenzene;N,N-dipropylbutan-1-amine;ethane has a molecular weight of 335.62 g/mol, XLogP of 7.27, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-methylbenzene;N,N-dipropylbutan-1-amine;ethane is sourced from PubChem (CID 156867707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).