N,N'-dimethyl-N'-[2-(2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine

C17H30N2 — CID 115252939

IUPACN,N'-dimethyl-N'-[2-(2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCNCC(CN(C)CCc1ccccc1C)C(C)C
InChIInChI=1S/C17H30N2/c1-14(2)17(12-18-4)13-19(5)11-10-16-9-7-6-8-15(16)3/h6-9,14,17-18H,10-13H2,1-5H3
InChIKeyFMCVNNDIIBRYTC-UHFFFAOYSA-N
MW262.44 g/mol
LogP2.96
Rot. Bonds8

About N,N'-dimethyl-N'-[2-(2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine

N,N'-dimethyl-N'-[2-(2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine (PubChem CID 115252939) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[2-(2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[2-(2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
PubChem CID115252939
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN,N'-dimethyl-N'-[2-(2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCNCC(CN(C)CCc1ccccc1C)C(C)C
InChIInChI=1S/C17H30N2/c1-14(2)17(12-18-4)13-19(5)11-10-16-9-7-6-8-15(16)3/h6-9,14,17-18H,10-13H2,1-5H3
InChIKeyFMCVNNDIIBRYTC-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 115252941
3-methyl-2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol
CID 115252258
N,N'-dimethyl-N'-(2-phenylethyl)-2-propan-2-ylpropane-1,3-diamine
CID 115252931
N,N'-dimethyl-N-(2-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 115252770
N'-[2-(2-bromophenyl)ethyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252622
N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-(2-methylpropyl)ethane-1,2-diamine
CID 113409285
N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-propan-2-ylethane-1,2-diamine
CID 113409141
2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol
CID 115251113
1-N,2-N,2-trimethyl-2-N-[2-(2-methylphenyl)ethyl]propane-1,2-diamine
CID 115133027
2-methyl-3-(methylamino)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79749486
N,N'-dimethyl-N'-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252887
4-[methyl-[2-(2-methylphenyl)ethyl]amino]butanenitrile
CID 115232074

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[2-(2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-N'-[2-(2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine (CID 115252939) is N,N'-dimethyl-N'-[2-(2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[2-(2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[2-(2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine is CNCC(CN(C)CCc1ccccc1C)C(C)C.
What is the InChIKey of N,N'-dimethyl-N'-[2-(2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is FMCVNNDIIBRYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-14(2)17(12-18-4)13-19(5)11-10-16-9-7-6-8-15(16)3/h6-9,14,17-18H,10-13H2,1-5H3.
What are the key properties of N,N'-dimethyl-N'-[2-(2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
N,N'-dimethyl-N'-[2-(2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 2.96, 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-(2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 115252939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).