1-N-(1-methoxyethyl)-2-N,2-dimethylhexane-1,2-diamine

C11H26N2O — CID 123528580

IUPAC1-N-(1-methoxyethyl)-2-N,2-dimethylhexane-1,2-diamine
SMILESCCCCC(C)(CNC(C)OC)NC
InChIInChI=1S/C11H26N2O/c1-6-7-8-11(3,12-4)9-13-10(2)14-5/h10,12-13H,6-9H2,1-5H3
InChIKeyRQIUZDDDNASXKK-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.74
Rot. Bonds8

About 1-N-(1-methoxyethyl)-2-N,2-dimethylhexane-1,2-diamine

1-N-(1-methoxyethyl)-2-N,2-dimethylhexane-1,2-diamine (PubChem CID 123528580) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-N-(1-methoxyethyl)-2-N,2-dimethylhexane-1,2-diamine.

Molecular Properties

Compound Name1-N-(1-methoxyethyl)-2-N,2-dimethylhexane-1,2-diamine
PubChem CID123528580
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name1-N-(1-methoxyethyl)-2-N,2-dimethylhexane-1,2-diamine
SMILESCCCCC(C)(CNC(C)OC)NC
InChIInChI=1S/C11H26N2O/c1-6-7-8-11(3,12-4)9-13-10(2)14-5/h10,12-13H,6-9H2,1-5H3
InChIKeyRQIUZDDDNASXKK-UHFFFAOYSA-N
XLogP1.74
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N,4-dimethylheptan-4-amine;ethane
CID 143105274
2-ethyl-N-(1-methoxyethyl)-2-methylpent-4-en-1-amine
CID 139312912
ethyl 3-methyl-3-(methylamino)octanoate
CID 80558531
3-methyl-3-(methylamino)nonan-1-ol
CID 65235279
N-(1-methoxypropan-2-yl)-7-methyltridecan-7-amine
CID 130426441
6-butoxy-2-methyl-2-(methylamino)hexan-1-ol
CID 64806053
tert-butyl formate;2-N,2-dimethyl-1-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]hexane-1,2-diamine
CID 142299348
2-methyl-2-(methylamino)-6-[pentyl(propan-2-yl)amino]hexan-1-ol
CID 64825962
2-ethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylhexan-1-amine
CID 112591502
5-hexoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64811239
2-butyl-2,4-diethyl-N-propan-2-ylhexan-1-amine
CID 82930458
3-methyl-3-(methylamino)octanoic acid
CID 80558530

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-methoxyethyl)-2-N,2-dimethylhexane-1,2-diamine?
The IUPAC name of 1-N-(1-methoxyethyl)-2-N,2-dimethylhexane-1,2-diamine (CID 123528580) is 1-N-(1-methoxyethyl)-2-N,2-dimethylhexane-1,2-diamine.
What is the SMILES notation for 1-N-(1-methoxyethyl)-2-N,2-dimethylhexane-1,2-diamine?
The canonical SMILES for 1-N-(1-methoxyethyl)-2-N,2-dimethylhexane-1,2-diamine is CCCCC(C)(CNC(C)OC)NC.
What is the InChIKey of 1-N-(1-methoxyethyl)-2-N,2-dimethylhexane-1,2-diamine?
The InChIKey is RQIUZDDDNASXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-6-7-8-11(3,12-4)9-13-10(2)14-5/h10,12-13H,6-9H2,1-5H3.
What are the key properties of 1-N-(1-methoxyethyl)-2-N,2-dimethylhexane-1,2-diamine?
1-N-(1-methoxyethyl)-2-N,2-dimethylhexane-1,2-diamine has a molecular weight of 202.34 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-methoxyethyl)-2-N,2-dimethylhexane-1,2-diamine is sourced from PubChem (CID 123528580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).