N'-ethyl-N,N,N'-trimethylethane-1,2-diamine;4-methyl-N-propan-2-ylaniline

C17H33N3 — CID 142404040

IUPACN'-ethyl-N,N,N'-trimethylethane-1,2-diamine;4-methyl-N-propan-2-ylaniline
SMILESCCN(C)CCN(C)C.Cc1ccc(NC(C)C)cc1
InChIInChI=1S/C10H15N.C7H18N2/c1-8(2)11-10-6-4-9(3)5-7-10;1-5-9(4)7-6-8(2)3/h4-8,11H,1-3H3;5-7H2,1-4H3
InChIKeyRLZXKMOMUJFVMS-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.32
Rot. Bonds6

About N'-ethyl-N,N,N'-trimethylethane-1,2-diamine;4-methyl-N-propan-2-ylaniline

N'-ethyl-N,N,N'-trimethylethane-1,2-diamine;4-methyl-N-propan-2-ylaniline (PubChem CID 142404040) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is N'-ethyl-N,N,N'-trimethylethane-1,2-diamine;4-methyl-N-propan-2-ylaniline.

Molecular Properties

Compound NameN'-ethyl-N,N,N'-trimethylethane-1,2-diamine;4-methyl-N-propan-2-ylaniline
PubChem CID142404040
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC NameN'-ethyl-N,N,N'-trimethylethane-1,2-diamine;4-methyl-N-propan-2-ylaniline
SMILESCCN(C)CCN(C)C.Cc1ccc(NC(C)C)cc1
InChIInChI=1S/C10H15N.C7H18N2/c1-8(2)11-10-6-4-9(3)5-7-10;1-5-9(4)7-6-8(2)3/h4-8,11H,1-3H3;5-7H2,1-4H3
InChIKeyRLZXKMOMUJFVMS-UHFFFAOYSA-N
XLogP3.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N,N,N'-trimethylethane-1,2-diamine;4-methyl-N-propan-2-ylaniline?
The IUPAC name of N'-ethyl-N,N,N'-trimethylethane-1,2-diamine;4-methyl-N-propan-2-ylaniline (CID 142404040) is N'-ethyl-N,N,N'-trimethylethane-1,2-diamine;4-methyl-N-propan-2-ylaniline.
What is the SMILES notation for N'-ethyl-N,N,N'-trimethylethane-1,2-diamine;4-methyl-N-propan-2-ylaniline?
The canonical SMILES for N'-ethyl-N,N,N'-trimethylethane-1,2-diamine;4-methyl-N-propan-2-ylaniline is CCN(C)CCN(C)C.Cc1ccc(NC(C)C)cc1.
What is the InChIKey of N'-ethyl-N,N,N'-trimethylethane-1,2-diamine;4-methyl-N-propan-2-ylaniline?
The InChIKey is RLZXKMOMUJFVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C7H18N2/c1-8(2)11-10-6-4-9(3)5-7-10;1-5-9(4)7-6-8(2)3/h4-8,11H,1-3H3;5-7H2,1-4H3.
What are the key properties of N'-ethyl-N,N,N'-trimethylethane-1,2-diamine;4-methyl-N-propan-2-ylaniline?
N'-ethyl-N,N,N'-trimethylethane-1,2-diamine;4-methyl-N-propan-2-ylaniline has a molecular weight of 279.47 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N,N,N'-trimethylethane-1,2-diamine;4-methyl-N-propan-2-ylaniline is sourced from PubChem (CID 142404040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).