N,N'-dimethyl-N'-(2-phenylethyl)-2-propan-2-ylpropane-1,3-diamine

C16H28N2 — CID 115252931

IUPACN,N'-dimethyl-N'-(2-phenylethyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCNCC(CN(C)CCc1ccccc1)C(C)C
InChIInChI=1S/C16H28N2/c1-14(2)16(12-17-3)13-18(4)11-10-15-8-6-5-7-9-15/h5-9,14,16-17H,10-13H2,1-4H3
InChIKeyNWGIVTQMFLXSIQ-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.65
Rot. Bonds8

About N,N'-dimethyl-N'-(2-phenylethyl)-2-propan-2-ylpropane-1,3-diamine

N,N'-dimethyl-N'-(2-phenylethyl)-2-propan-2-ylpropane-1,3-diamine (PubChem CID 115252931) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(2-phenylethyl)-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(2-phenylethyl)-2-propan-2-ylpropane-1,3-diamine
PubChem CID115252931
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN,N'-dimethyl-N'-(2-phenylethyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCNCC(CN(C)CCc1ccccc1)C(C)C
InChIInChI=1S/C16H28N2/c1-14(2)16(12-17-3)13-18(4)11-10-15-8-6-5-7-9-15/h5-9,14,16-17H,10-13H2,1-4H3
InChIKeyNWGIVTQMFLXSIQ-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-dimethyl-N'-[2-(2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252939
N-[2-(2-fluorophenyl)ethyl]-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 115252941
1-N,2-N-dimethyl-1-N-(2-phenylethyl)propane-1,2-diamine
CID 20979710
methyl 2-methyl-3-[methyl(2-phenylethyl)amino]propanoate
CID 62011888
2-N-ethyl-1-N-methyl-1-N-(2-phenylethyl)butane-1,2-diamine
CID 65487022
N,N'-dimethyl-N-(2-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 115252770
1-cyclopropyl-2-[methyl(2-phenylethyl)amino]ethanol
CID 65486700
N,2,3-trimethyl-4-phenylbutan-1-amine
CID 81016315
2-ethyl-N-[2-(4-ethylphenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 115255184
1-N,3-N,2,2-tetramethyl-1-N-(2-phenylethyl)butane-1,3-diamine
CID 66454544
(2S)-N,2-dimethyl-4-phenylbutan-1-amine
CID 134172295
1-N-methyl-1-N-(2-phenylethyl)butane-1,3-diamine
CID 65488739

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(2-phenylethyl)-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-N'-(2-phenylethyl)-2-propan-2-ylpropane-1,3-diamine (CID 115252931) is N,N'-dimethyl-N'-(2-phenylethyl)-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-(2-phenylethyl)-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-N'-(2-phenylethyl)-2-propan-2-ylpropane-1,3-diamine is CNCC(CN(C)CCc1ccccc1)C(C)C.
What is the InChIKey of N,N'-dimethyl-N'-(2-phenylethyl)-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is NWGIVTQMFLXSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-14(2)16(12-17-3)13-18(4)11-10-15-8-6-5-7-9-15/h5-9,14,16-17H,10-13H2,1-4H3.
What are the key properties of N,N'-dimethyl-N'-(2-phenylethyl)-2-propan-2-ylpropane-1,3-diamine?
N,N'-dimethyl-N'-(2-phenylethyl)-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 248.41 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(2-phenylethyl)-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 115252931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).