N,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine

C18H32N2O — CID 63981433

IUPACN,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCCC(C)(C)N(C)CC(NC)c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-8-18(4,5)20(7)13-17(19-6)15-9-11-16(12-10-15)21-14(2)3/h9-12,14,17,19H,8,13H2,1-7H3
InChIKeyCBVPGXPWHMDGTQ-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.85
Rot. Bonds8

About N,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine

N,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine (PubChem CID 63981433) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
PubChem CID63981433
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCCC(C)(C)N(C)CC(NC)c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-8-18(4,5)20(7)13-17(19-6)15-9-11-16(12-10-15)21-14(2)3/h9-12,14,17,19H,8,13H2,1-7H3
InChIKeyCBVPGXPWHMDGTQ-UHFFFAOYSA-N
XLogP3.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylphenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63981431
N,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 63980995
N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 63956587
N-methyl-1-(4-propan-2-yloxyphenyl)hexan-1-amine
CID 43485534
2-N,2-N-diethyl-1-N,2-dimethyl-1-(4-propan-2-yloxyphenyl)propane-1,2-diamine
CID 79047766
N,2-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine
CID 43485559
N-methyl-1-(4-propan-2-yloxyphenyl)-2-propylsulfanylethanamine
CID 64615512
N-methyl-1-(4-propan-2-yloxyphenyl)-2-(2-propoxyethoxy)ethanamine
CID 63685624
2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 64613215
4-methoxy-N,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine
CID 105144752
1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
CID 63965642
methyl 4-(methylamino)-4-(4-propan-2-yloxyphenyl)butanoate
CID 116955534

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine (CID 63981433) is N,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine is CCC(C)(C)N(C)CC(NC)c1ccc(OC(C)C)cc1.
What is the InChIKey of N,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
The InChIKey is CBVPGXPWHMDGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-8-18(4,5)20(7)13-17(19-6)15-9-11-16(12-10-15)21-14(2)3/h9-12,14,17,19H,8,13H2,1-7H3.
What are the key properties of N,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
N,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 63981433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).