N',N'-diethyl-N-(2-methyl-2-phenylpropyl)ethane-1,2-diamine

C16H28N2 — CID 54886399

IUPACN',N'-diethyl-N-(2-methyl-2-phenylpropyl)ethane-1,2-diamine
SMILESCCN(CC)CCNCC(C)(C)c1ccccc1
InChIInChI=1S/C16H28N2/c1-5-18(6-2)13-12-17-14-16(3,4)15-10-8-7-9-11-15/h7-11,17H,5-6,12-14H2,1-4H3
InChIKeyWGYRHWVHIMXXAN-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.90
Rot. Bonds8

About N',N'-diethyl-N-(2-methyl-2-phenylpropyl)ethane-1,2-diamine

N',N'-diethyl-N-(2-methyl-2-phenylpropyl)ethane-1,2-diamine (PubChem CID 54886399) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N',N'-diethyl-N-(2-methyl-2-phenylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(2-methyl-2-phenylpropyl)ethane-1,2-diamine
PubChem CID54886399
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN',N'-diethyl-N-(2-methyl-2-phenylpropyl)ethane-1,2-diamine
SMILESCCN(CC)CCNCC(C)(C)c1ccccc1
InChIInChI=1S/C16H28N2/c1-5-18(6-2)13-12-17-14-16(3,4)15-10-8-7-9-11-15/h7-11,17H,5-6,12-14H2,1-4H3
InChIKeyWGYRHWVHIMXXAN-UHFFFAOYSA-N
XLogP2.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methyl-2-phenylpropyl)amino]ethanethiol
CID 115224453
N-(2-methyl-2-phenylpropyl)nonan-1-amine
CID 63491686
N-(2-methyl-2-phenylpropyl)hexan-1-amine
CID 63451792
3-[(2-methyl-2-phenylpropyl)amino]propane-1-thiol
CID 115225308
N-(3-ethylsulfanylpropyl)-2-methyl-2-phenylpropan-1-amine
CID 113373332
1-[4-(diethylamino)butyl]-2-methyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 111947792
N',N'-diethyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 12882439
N,N-dimethyl-3-[(2-methyl-2-phenylpropyl)amino]propanamide
CID 54886707
2-methyl-2-phenyl-N,N,N'-tripropylpropane-1,3-diamine
CID 63482320
3-(2-methyl-2-phenylpropyl)-1,1-dipropylurea
CID 113213255
N'-benzyl-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 62574688
N,N'-diethyl-2-methyl-2-phenyl-N'-propylpropane-1,3-diamine
CID 62262898

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(2-methyl-2-phenylpropyl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(2-methyl-2-phenylpropyl)ethane-1,2-diamine (CID 54886399) is N',N'-diethyl-N-(2-methyl-2-phenylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(2-methyl-2-phenylpropyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(2-methyl-2-phenylpropyl)ethane-1,2-diamine is CCN(CC)CCNCC(C)(C)c1ccccc1.
What is the InChIKey of N',N'-diethyl-N-(2-methyl-2-phenylpropyl)ethane-1,2-diamine?
The InChIKey is WGYRHWVHIMXXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-18(6-2)13-12-17-14-16(3,4)15-10-8-7-9-11-15/h7-11,17H,5-6,12-14H2,1-4H3.
What are the key properties of N',N'-diethyl-N-(2-methyl-2-phenylpropyl)ethane-1,2-diamine?
N',N'-diethyl-N-(2-methyl-2-phenylpropyl)ethane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(2-methyl-2-phenylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 54886399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).