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

C15H34N2O — CID 43146979

IUPACN-(4-methoxy-4-methylpentan-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCOC(C)(C)CC(C)NCCN(C(C)C)C(C)C
InChIInChI=1S/C15H34N2O/c1-12(2)17(13(3)4)10-9-16-14(5)11-15(6,7)18-8/h12-14,16H,9-11H2,1-8H3
InChIKeyPOKZXHUITIVJDO-UHFFFAOYSA-N
MW258.45 g/mol
LogP2.90
Rot. Bonds9

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

N-(4-methoxy-4-methylpentan-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 43146979) has the molecular formula C15H34N2O and a molecular weight of 258.45 g/mol. Its IUPAC name is N-(4-methoxy-4-methylpentan-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-methoxy-4-methylpentan-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID43146979
Molecular FormulaC15H34N2O
Molecular Weight258.45 g/mol
Exact Mass258.27
IUPAC NameN-(4-methoxy-4-methylpentan-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCOC(C)(C)CC(C)NCCN(C(C)C)C(C)C
InChIInChI=1S/C15H34N2O/c1-12(2)17(13(3)4)10-9-16-14(5)11-15(6,7)18-8/h12-14,16H,9-11H2,1-8H3
InChIKeyPOKZXHUITIVJDO-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-methoxy-1-N,4-dimethylpentane-1,2-diamine
CID 88939090
4-methyl-4-[2-methyl-3-(propan-2-ylamino)butoxy]-N-propan-2-ylpentan-2-amine
CID 135299905
N-tert-butyl-N'-[2-[(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)amino]ethyl]-N'-methylethane-1,2-diamine
CID 137434900
N-tert-butyl-N'-(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)ethane-1,2-diamine
CID 138713270
4-[2,4-Dimethyl-4-(propan-2-ylamino)pentan-2-yl]oxy-2,4-dimethylpentan-2-amine
CID 142989908
N'-(4-methoxy-2,2,4-trimethylpentyl)-N-methyl-N'-propylethane-1,2-diamine
CID 144147499
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'-(2-methyl-4-propan-2-yloxypentan-2-yl)-N-propan-2-ylethane-1,2-diamine
CID 156227913
2-N-methyl-3-N-[3-methyl-3-(3-methylbutoxy)butyl]butane-1,2,3-triamine
CID 166688891
4-[4-(dimethylamino)-2-methylbutan-2-yl]oxy-2-methyl-N-propan-2-ylbutan-2-amine
CID 170237295
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-(4-methoxy-4-methylpentan-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 43146979) is N-(4-methoxy-4-methylpentan-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-methoxy-4-methylpentan-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(4-methoxy-4-methylpentan-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is COC(C)(C)CC(C)NCCN(C(C)C)C(C)C.
What is the InChIKey of N-(4-methoxy-4-methylpentan-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is POKZXHUITIVJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O/c1-12(2)17(13(3)4)10-9-16-14(5)11-15(6,7)18-8/h12-14,16H,9-11H2,1-8H3.
What are the key properties of N-(4-methoxy-4-methylpentan-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-(4-methoxy-4-methylpentan-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 258.45 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-4-methylpentan-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 43146979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).