4-(1-amino-2-methylpropyl)-N,N-dimethylaniline;ethane

C14H26N2 — CID 142883586

IUPAC4-(1-amino-2-methylpropyl)-N,N-dimethylaniline;ethane
SMILESCC.CC(C)C(N)c1ccc(N(C)C)cc1
InChIInChI=1S/C12H20N2.C2H6/c1-9(2)12(13)10-5-7-11(8-6-10)14(3)4;1-2/h5-9,12H,13H2,1-4H3;1-2H3
InChIKeyWSWUNNRCYJSUQU-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.43
Rot. Bonds3

About 4-(1-amino-2-methylpropyl)-N,N-dimethylaniline;ethane

4-(1-amino-2-methylpropyl)-N,N-dimethylaniline;ethane (PubChem CID 142883586) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 4-(1-amino-2-methylpropyl)-N,N-dimethylaniline;ethane.

Molecular Properties

Compound Name4-(1-amino-2-methylpropyl)-N,N-dimethylaniline;ethane
PubChem CID142883586
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name4-(1-amino-2-methylpropyl)-N,N-dimethylaniline;ethane
SMILESCC.CC(C)C(N)c1ccc(N(C)C)cc1
InChIInChI=1S/C12H20N2.C2H6/c1-9(2)12(13)10-5-7-11(8-6-10)14(3)4;1-2/h5-9,12H,13H2,1-4H3;1-2H3
InChIKeyWSWUNNRCYJSUQU-UHFFFAOYSA-N
XLogP3.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(3-amino-4-methylpentan-2-yl)-N,N-dimethylaniline
CID 79299472
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956
4-[(1R)-1-aminoethyl]-N,N-dimethylaniline
CID 14341957
N,N-dimethyl-4-propan-2-ylaniline;methane
CID 161012849
4-(1-amino-2-methylpropyl)aniline
CID 55283645
(1S)-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 7129632
4-[(1S)-1-amino-2-methylpropyl]phenol
CID 55278792
4-(1-aminopropan-2-yl)-N,N-dimethylaniline
CID 60965190
4-(3-chloro-4-methylpentan-2-yl)-N,N-dimethylaniline
CID 79297990
4-(1-amino-5-methylhexyl)-N,N-dimethylaniline
CID 105177155
4-[3-[4-(dimethylamino)phenyl]butan-2-yl]-N,N-dimethylaniline
CID 101124306
(2S)-2-amino-2-[4-(dimethylamino)phenyl]acetic acid
CID 7022656

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-methylpropyl)-N,N-dimethylaniline;ethane?
The IUPAC name of 4-(1-amino-2-methylpropyl)-N,N-dimethylaniline;ethane (CID 142883586) is 4-(1-amino-2-methylpropyl)-N,N-dimethylaniline;ethane.
What is the SMILES notation for 4-(1-amino-2-methylpropyl)-N,N-dimethylaniline;ethane?
The canonical SMILES for 4-(1-amino-2-methylpropyl)-N,N-dimethylaniline;ethane is CC.CC(C)C(N)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-(1-amino-2-methylpropyl)-N,N-dimethylaniline;ethane?
The InChIKey is WSWUNNRCYJSUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2.C2H6/c1-9(2)12(13)10-5-7-11(8-6-10)14(3)4;1-2/h5-9,12H,13H2,1-4H3;1-2H3.
What are the key properties of 4-(1-amino-2-methylpropyl)-N,N-dimethylaniline;ethane?
4-(1-amino-2-methylpropyl)-N,N-dimethylaniline;ethane has a molecular weight of 222.38 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-methylpropyl)-N,N-dimethylaniline;ethane is sourced from PubChem (CID 142883586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).