N'-(3,3-dimethylbutan-2-yl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine

C13H30N2O — CID 62555816

IUPACN'-(3,3-dimethylbutan-2-yl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
SMILESCOCC(C)NCCN(C)C(C)C(C)(C)C
InChIInChI=1S/C13H30N2O/c1-11(10-16-7)14-8-9-15(6)12(2)13(3,4)5/h11-12,14H,8-10H2,1-7H3
InChIKeyCPBWGKXQLGUTQH-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.98
Rot. Bonds7

About N'-(3,3-dimethylbutan-2-yl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine

N'-(3,3-dimethylbutan-2-yl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine (PubChem CID 62555816) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is N'-(3,3-dimethylbutan-2-yl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3,3-dimethylbutan-2-yl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
PubChem CID62555816
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC NameN'-(3,3-dimethylbutan-2-yl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
SMILESCOCC(C)NCCN(C)C(C)C(C)(C)C
InChIInChI=1S/C13H30N2O/c1-11(10-16-7)14-8-9-15(6)12(2)13(3,4)5/h11-12,14H,8-10H2,1-7H3
InChIKeyCPBWGKXQLGUTQH-UHFFFAOYSA-N
XLogP1.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methoxypropan-2-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62574091
N-(1-methoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62559356
N',N'-diethyl-N-[(2R)-1-methoxypropan-2-yl]ethane-1,2-diamine
CID 28571173
1-N-(3,3-dimethylbutan-2-yl)-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine
CID 107505584
1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 43199128
N'-[1-(4-chlorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 62984575
N'-(3,3-dimethylbutan-2-yl)-N'-methyl-N-prop-2-enylethane-1,2-diamine
CID 62553847
ethane;1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 142226149
N'-(3,5-dimethylphenyl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 62555936
N'-butan-2-yl-N'-butyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 62557619
1-methoxy-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 60688575
2-methoxy-N-(1-methoxypropan-2-yl)-3,3-dimethylbutan-1-amine
CID 115667390

Frequently Asked Questions

What is the IUPAC name of N'-(3,3-dimethylbutan-2-yl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(3,3-dimethylbutan-2-yl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine (CID 62555816) is N'-(3,3-dimethylbutan-2-yl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(3,3-dimethylbutan-2-yl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(3,3-dimethylbutan-2-yl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine is COCC(C)NCCN(C)C(C)C(C)(C)C.
What is the InChIKey of N'-(3,3-dimethylbutan-2-yl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine?
The InChIKey is CPBWGKXQLGUTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-11(10-16-7)14-8-9-15(6)12(2)13(3,4)5/h11-12,14H,8-10H2,1-7H3.
What are the key properties of N'-(3,3-dimethylbutan-2-yl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine?
N'-(3,3-dimethylbutan-2-yl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine has a molecular weight of 230.40 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3-dimethylbutan-2-yl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62555816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).