5-(4-aminobutan-2-yl)-N,N,2,3-tetramethylaniline

C14H24N2 — CID 117107326

IUPAC5-(4-aminobutan-2-yl)-N,N,2,3-tetramethylaniline
SMILESCc1cc(C(C)CCN)cc(N(C)C)c1C
InChIInChI=1S/C14H24N2/c1-10(6-7-15)13-8-11(2)12(3)14(9-13)16(4)5/h8-10H,6-7,15H2,1-5H3
InChIKeyWHDLNJXMGFSBLY-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.82
Rot. Bonds4

About 5-(4-aminobutan-2-yl)-N,N,2,3-tetramethylaniline

5-(4-aminobutan-2-yl)-N,N,2,3-tetramethylaniline (PubChem CID 117107326) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 5-(4-aminobutan-2-yl)-N,N,2,3-tetramethylaniline.

Molecular Properties

Compound Name5-(4-aminobutan-2-yl)-N,N,2,3-tetramethylaniline
PubChem CID117107326
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name5-(4-aminobutan-2-yl)-N,N,2,3-tetramethylaniline
SMILESCc1cc(C(C)CCN)cc(N(C)C)c1C
InChIInChI=1S/C14H24N2/c1-10(6-7-15)13-8-11(2)12(3)14(9-13)16(4)5/h8-10H,6-7,15H2,1-5H3
InChIKeyWHDLNJXMGFSBLY-UHFFFAOYSA-N
XLogP2.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluoro-4,5-dimethylphenyl)butan-1-amine
CID 84773685
3-(4-chloro-3-methylphenyl)butan-1-amine
CID 82398517
4-(4-aminobutan-2-yl)-2-methoxy-6-methylphenol
CID 117299254
3-(4-methoxy-3-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 117343733
2-[5-(4-aminobutan-2-yl)-2-chlorophenyl]-N,N-dimethylaniline
CID 110447549
5-[6,6-bis(3,4,5-trimethylphenyl)hexan-2-yl]-1,2,3-trimethylbenzene
CID 59524659
3-(3-chloro-5-methoxy-4-methylphenyl)butan-1-amine
CID 117328028
3-(3-ethyl-4-methylphenyl)butan-1-amine
CID 117282743
3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-amine
CID 117097180
2-(4-aminobutan-2-yl)-3-fluoro-N,N-dimethylaniline
CID 117300770
3-(5,6-dimethyl-1,3-benzodioxol-4-yl)butan-1-amine
CID 117316752
4-(4-aminobutan-2-yl)-2,3,5-trimethylphenol
CID 115113566

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminobutan-2-yl)-N,N,2,3-tetramethylaniline?
The IUPAC name of 5-(4-aminobutan-2-yl)-N,N,2,3-tetramethylaniline (CID 117107326) is 5-(4-aminobutan-2-yl)-N,N,2,3-tetramethylaniline.
What is the SMILES notation for 5-(4-aminobutan-2-yl)-N,N,2,3-tetramethylaniline?
The canonical SMILES for 5-(4-aminobutan-2-yl)-N,N,2,3-tetramethylaniline is Cc1cc(C(C)CCN)cc(N(C)C)c1C.
What is the InChIKey of 5-(4-aminobutan-2-yl)-N,N,2,3-tetramethylaniline?
The InChIKey is WHDLNJXMGFSBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-10(6-7-15)13-8-11(2)12(3)14(9-13)16(4)5/h8-10H,6-7,15H2,1-5H3.
What are the key properties of 5-(4-aminobutan-2-yl)-N,N,2,3-tetramethylaniline?
5-(4-aminobutan-2-yl)-N,N,2,3-tetramethylaniline has a molecular weight of 220.36 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminobutan-2-yl)-N,N,2,3-tetramethylaniline is sourced from PubChem (CID 117107326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).