N'-ethyl-N'-(1-methoxypropan-2-yl)-N-(5-methylhexan-2-yl)ethane-1,2-diamine

C15H34N2O — CID 55090123

IUPACN'-ethyl-N'-(1-methoxypropan-2-yl)-N-(5-methylhexan-2-yl)ethane-1,2-diamine
SMILESCCN(CCNC(C)CCC(C)C)C(C)COC
InChIInChI=1S/C15H34N2O/c1-7-17(15(5)12-18-6)11-10-16-14(4)9-8-13(2)3/h13-16H,7-12H2,1-6H3
InChIKeyMWKDUIBQOAZEKY-UHFFFAOYSA-N
MW258.45 g/mol
LogP2.76
Rot. Bonds11

About N'-ethyl-N'-(1-methoxypropan-2-yl)-N-(5-methylhexan-2-yl)ethane-1,2-diamine

N'-ethyl-N'-(1-methoxypropan-2-yl)-N-(5-methylhexan-2-yl)ethane-1,2-diamine (PubChem CID 55090123) has the molecular formula C15H34N2O and a molecular weight of 258.45 g/mol. Its IUPAC name is N'-ethyl-N'-(1-methoxypropan-2-yl)-N-(5-methylhexan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(1-methoxypropan-2-yl)-N-(5-methylhexan-2-yl)ethane-1,2-diamine
PubChem CID55090123
Molecular FormulaC15H34N2O
Molecular Weight258.45 g/mol
Exact Mass258.27
IUPAC NameN'-ethyl-N'-(1-methoxypropan-2-yl)-N-(5-methylhexan-2-yl)ethane-1,2-diamine
SMILESCCN(CCNC(C)CCC(C)C)C(C)COC
InChIInChI=1S/C15H34N2O/c1-7-17(15(5)12-18-6)11-10-16-14(4)9-8-13(2)3/h13-16H,7-12H2,1-6H3
InChIKeyMWKDUIBQOAZEKY-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N,4-trimethyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentane-1,2-diamine
CID 54963578
1-N,1-N,4-trimethyl-2-N-[2-(trifluoromethoxy)ethyl]pentane-1,2-diamine
CID 65803638
4-methyl-N-[2-[2-(4-methylpentan-2-ylamino)ethoxy]ethyl]pentan-2-amine
CID 18338936
(2S)-4-methyl-1-morpholin-4-ylpentan-2-amine
CID 18649577
4-Methyl-1-morpholin-4-ylpentan-2-amine
CID 19107604
(2-Methoxyethyl)(4-methylpentan-2-yl)amine
CID 43190116
(1-Methoxypropan-2-yl)(4-methylpentan-2-yl)amine
CID 43191824
N-(2-methoxyethyl)-5-methylhexan-3-amine
CID 60076245
1-cyclopropyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62539719
2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine
CID 62540263
1-cyclopentyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62540617
N-(2-methoxyethyl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 62575106

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(1-methoxypropan-2-yl)-N-(5-methylhexan-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(1-methoxypropan-2-yl)-N-(5-methylhexan-2-yl)ethane-1,2-diamine (CID 55090123) is N'-ethyl-N'-(1-methoxypropan-2-yl)-N-(5-methylhexan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(1-methoxypropan-2-yl)-N-(5-methylhexan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(1-methoxypropan-2-yl)-N-(5-methylhexan-2-yl)ethane-1,2-diamine is CCN(CCNC(C)CCC(C)C)C(C)COC.
What is the InChIKey of N'-ethyl-N'-(1-methoxypropan-2-yl)-N-(5-methylhexan-2-yl)ethane-1,2-diamine?
The InChIKey is MWKDUIBQOAZEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O/c1-7-17(15(5)12-18-6)11-10-16-14(4)9-8-13(2)3/h13-16H,7-12H2,1-6H3.
What are the key properties of N'-ethyl-N'-(1-methoxypropan-2-yl)-N-(5-methylhexan-2-yl)ethane-1,2-diamine?
N'-ethyl-N'-(1-methoxypropan-2-yl)-N-(5-methylhexan-2-yl)ethane-1,2-diamine has a molecular weight of 258.45 g/mol, XLogP of 2.76, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(1-methoxypropan-2-yl)-N-(5-methylhexan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 55090123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).