N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(4-propylphenyl)ethane-1,2-diamine

C19H34N2 — CID 63469443

IUPACN'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(4-propylphenyl)ethane-1,2-diamine
SMILESCCCc1ccc(C(CN(C)C(C)C(C)(C)C)NC)cc1
InChIInChI=1S/C19H34N2/c1-8-9-16-10-12-17(13-11-16)18(20-6)14-21(7)15(2)19(3,4)5/h10-13,15,18,20H,8-9,14H2,1-7H3
InChIKeyFTTGXSOTTKUAEM-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.27
Rot. Bonds7

About N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(4-propylphenyl)ethane-1,2-diamine

N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(4-propylphenyl)ethane-1,2-diamine (PubChem CID 63469443) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(4-propylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(4-propylphenyl)ethane-1,2-diamine
PubChem CID63469443
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC NameN'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(4-propylphenyl)ethane-1,2-diamine
SMILESCCCc1ccc(C(CN(C)C(C)C(C)(C)C)NC)cc1
InChIInChI=1S/C19H34N2/c1-8-9-16-10-12-17(13-11-16)18(20-6)14-21(7)15(2)19(3,4)5/h10-13,15,18,20H,8-9,14H2,1-7H3
InChIKeyFTTGXSOTTKUAEM-UHFFFAOYSA-N
XLogP4.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,3,3-trimethyl-1-(4-propylphenyl)butan-1-amine
CID 43484923
2-(methylamino)-2-(4-propylphenyl)ethanethiol
CID 116830608
1-N,2-N,2-N,2-tetramethyl-1-(4-propylphenyl)propane-1,2-diamine
CID 79053289
N-methyl-N'-propan-2-yl-1-(4-propylphenyl)ethane-1,2-diamine
CID 116950451
N,3,3-trimethyl-1-(4-propylphenyl)butane-1,4-diamine
CID 116950082
N,N'-dimethyl-N'-(oxolan-3-yl)-1-(4-propylphenyl)ethane-1,2-diamine
CID 82735589
1-(4-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethylpropane-1,3-diamine
CID 62645380
2-hydrazinyl-N,N-dimethyl-2-(4-propylphenyl)ethanamine
CID 105244634
N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine
CID 62613768
N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 63469264
N-methyl-3-(4-propylphenyl)butan-2-amine
CID 66438296
N'-methyl-N'-(3-methylbutan-2-yl)-1-(4-propylphenyl)ethane-1,2-diamine
CID 43569993

Frequently Asked Questions

What is the IUPAC name of N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(4-propylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(4-propylphenyl)ethane-1,2-diamine (CID 63469443) is N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(4-propylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(4-propylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(4-propylphenyl)ethane-1,2-diamine is CCCc1ccc(C(CN(C)C(C)C(C)(C)C)NC)cc1.
What is the InChIKey of N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(4-propylphenyl)ethane-1,2-diamine?
The InChIKey is FTTGXSOTTKUAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-8-9-16-10-12-17(13-11-16)18(20-6)14-21(7)15(2)19(3,4)5/h10-13,15,18,20H,8-9,14H2,1-7H3.
What are the key properties of N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(4-propylphenyl)ethane-1,2-diamine?
N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(4-propylphenyl)ethane-1,2-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(4-propylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 63469443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).