N',N'-diethyl-N-(4-methoxy-4-methylpentan-2-yl)ethane-1,2-diamine

C13H30N2O — CID 43147064

IUPACN',N'-diethyl-N-(4-methoxy-4-methylpentan-2-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNC(C)CC(C)(C)OC
InChIInChI=1S/C13H30N2O/c1-7-15(8-2)10-9-14-12(3)11-13(4,5)16-6/h12,14H,7-11H2,1-6H3
InChIKeyRUQKCYMLVLNASP-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.12
Rot. Bonds9

About N',N'-diethyl-N-(4-methoxy-4-methylpentan-2-yl)ethane-1,2-diamine

N',N'-diethyl-N-(4-methoxy-4-methylpentan-2-yl)ethane-1,2-diamine (PubChem CID 43147064) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is N',N'-diethyl-N-(4-methoxy-4-methylpentan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(4-methoxy-4-methylpentan-2-yl)ethane-1,2-diamine
PubChem CID43147064
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC NameN',N'-diethyl-N-(4-methoxy-4-methylpentan-2-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNC(C)CC(C)(C)OC
InChIInChI=1S/C13H30N2O/c1-7-15(8-2)10-9-14-12(3)11-13(4,5)16-6/h12,14H,7-11H2,1-6H3
InChIKeyRUQKCYMLVLNASP-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-4-methyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 106675747
2-N-(2,2-difluoroethyl)-4-methoxy-4-methylpentane-1,2-diamine
CID 106675782
(2S)-4-methoxy-1-N,4-dimethylpentane-1,2-diamine
CID 88939090
4-Methyl-4-(methylaminomethoxy)pentan-2-amine
CID 130251979
N-tert-butyl-N'-[2-[(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)amino]ethyl]-N'-methylethane-1,2-diamine
CID 137434900
1-(4-Methoxy-2,4-dimethylpentan-2-yl)piperazine
CID 146180745
N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 146180747
N,4-dimethyl-4-propoxypentan-2-amine
CID 156081274
N'-(2-methyl-4-propan-2-yloxypentan-2-yl)ethane-1,2-diamine
CID 156227900
N'-(2-methyl-4-propan-2-yloxypentan-2-yl)-N-propan-2-ylethane-1,2-diamine
CID 156227913
N-ethyl-3-methoxy-3-methylcyclobutan-1-amine
CID 163461542
N'-(2-ethyl-3-methoxy-3-methylbutyl)-N,N'-dimethylethane-1,2-diamine
CID 170266043

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(4-methoxy-4-methylpentan-2-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(4-methoxy-4-methylpentan-2-yl)ethane-1,2-diamine (CID 43147064) is N',N'-diethyl-N-(4-methoxy-4-methylpentan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(4-methoxy-4-methylpentan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(4-methoxy-4-methylpentan-2-yl)ethane-1,2-diamine is CCN(CC)CCNC(C)CC(C)(C)OC.
What is the InChIKey of N',N'-diethyl-N-(4-methoxy-4-methylpentan-2-yl)ethane-1,2-diamine?
The InChIKey is RUQKCYMLVLNASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-7-15(8-2)10-9-14-12(3)11-13(4,5)16-6/h12,14H,7-11H2,1-6H3.
What are the key properties of N',N'-diethyl-N-(4-methoxy-4-methylpentan-2-yl)ethane-1,2-diamine?
N',N'-diethyl-N-(4-methoxy-4-methylpentan-2-yl)ethane-1,2-diamine has a molecular weight of 230.40 g/mol, XLogP of 2.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(4-methoxy-4-methylpentan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 43147064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).