N'-butan-2-yl-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine

C16H28N2 — CID 43272878

IUPACN'-butan-2-yl-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCCC(C)N(C)CC(N)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H28N2/c1-7-14(5)18(6)10-15(17)16-12(3)8-11(2)9-13(16)4/h8-9,14-15H,7,10,17H2,1-6H3
InChIKeyPVHPUCOHTBAINH-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.34
Rot. Bonds5

About N'-butan-2-yl-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine

N'-butan-2-yl-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine (PubChem CID 43272878) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N'-butan-2-yl-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
PubChem CID43272878
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN'-butan-2-yl-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCCC(C)N(C)CC(N)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H28N2/c1-7-14(5)18(6)10-15(17)16-12(3)8-11(2)9-13(16)4/h8-9,14-15H,7,10,17H2,1-6H3
InChIKeyPVHPUCOHTBAINH-UHFFFAOYSA-N
XLogP3.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-butan-2-yl-1-(2,5-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 43272877
2-[(1S)-1-aminopropyl]-3,5-dimethylphenol
CID 130840850
N'-(cyclopropylmethyl)-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 54884594
N'-butan-2-yl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
CID 43272869
(1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517545
N'-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 66808820
1-(2,4,6-trimethylphenyl)heptan-1-amine
CID 114752275
1,3,5-trimethyl-2-(2-methylpentan-3-yl)benzene
CID 57184197
2-butan-2-yl-1,3,5-trimethylbenzene;ethane;propane
CID 176709600
1-N,1-N-dimethyl-1-(2,4,6-trimethylphenyl)pentane-1,4-diamine
CID 116905573
(1S,2R)-1-amino-3-methyl-1-(2,4,6-trimethylphenyl)pentan-2-ol;hydrochloride
CID 171268351
2-(4-ethylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 115803358

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine (CID 43272878) is N'-butan-2-yl-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine is CCC(C)N(C)CC(N)c1c(C)cc(C)cc1C.
What is the InChIKey of N'-butan-2-yl-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The InChIKey is PVHPUCOHTBAINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-7-14(5)18(6)10-15(17)16-12(3)8-11(2)9-13(16)4/h8-9,14-15H,7,10,17H2,1-6H3.
What are the key properties of N'-butan-2-yl-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
N'-butan-2-yl-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 43272878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).