N-tert-butyl-N'-methyl-N'-phenylethane-1,2-diamine

C13H22N2 — CID 54807376

IUPACN-tert-butyl-N'-methyl-N'-phenylethane-1,2-diamine
SMILESCN(CCNC(C)(C)C)c1ccccc1
InChIInChI=1S/C13H22N2/c1-13(2,3)14-10-11-15(4)12-8-6-5-7-9-12/h5-9,14H,10-11H2,1-4H3
InChIKeyHDSCHRKXGUPJIR-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.51
Rot. Bonds4

About N-tert-butyl-N'-methyl-N'-phenylethane-1,2-diamine

N-tert-butyl-N'-methyl-N'-phenylethane-1,2-diamine (PubChem CID 54807376) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-tert-butyl-N'-methyl-N'-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-methyl-N'-phenylethane-1,2-diamine
PubChem CID54807376
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-tert-butyl-N'-methyl-N'-phenylethane-1,2-diamine
SMILESCN(CCNC(C)(C)C)c1ccccc1
InChIInChI=1S/C13H22N2/c1-13(2,3)14-10-11-15(4)12-8-6-5-7-9-12/h5-9,14H,10-11H2,1-4H3
InChIKeyHDSCHRKXGUPJIR-UHFFFAOYSA-N
XLogP2.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(3,3-dimethylbutyl)-N'-methyl-N'-phenylethane-1,2-diamine
CID 55085467
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CID 22967947
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CID 62440143
1-(2-hydroxy-2-phenylpropyl)-3-[2-(N-methylanilino)ethyl]urea
CID 111335704
ethane;N,N,N'-trimethyl-N'-phenylethane-1,2-diamine
CID 177320801
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
N-(2-ditert-butylphosphanylethyl)-N-methylaniline;hydrochloride
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N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine
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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-methyl-N'-phenylethane-1,2-diamine?
The IUPAC name of N-tert-butyl-N'-methyl-N'-phenylethane-1,2-diamine (CID 54807376) is N-tert-butyl-N'-methyl-N'-phenylethane-1,2-diamine.
What is the SMILES notation for N-tert-butyl-N'-methyl-N'-phenylethane-1,2-diamine?
The canonical SMILES for N-tert-butyl-N'-methyl-N'-phenylethane-1,2-diamine is CN(CCNC(C)(C)C)c1ccccc1.
What is the InChIKey of N-tert-butyl-N'-methyl-N'-phenylethane-1,2-diamine?
The InChIKey is HDSCHRKXGUPJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-13(2,3)14-10-11-15(4)12-8-6-5-7-9-12/h5-9,14H,10-11H2,1-4H3.
What are the key properties of N-tert-butyl-N'-methyl-N'-phenylethane-1,2-diamine?
N-tert-butyl-N'-methyl-N'-phenylethane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-methyl-N'-phenylethane-1,2-diamine is sourced from PubChem (CID 54807376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).