1-N,1-N-dimethyl-2-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,2-diamine

C11H26N2O — CID 112589367

IUPAC1-N,1-N-dimethyl-2-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,2-diamine
SMILESCC(CN(C)C)NCCOC(C)(C)C
InChIInChI=1S/C11H26N2O/c1-10(9-13(5)6)12-7-8-14-11(2,3)4/h10,12H,7-9H2,1-6H3
InChIKeyBAYBITMYUYLXLA-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.34
Rot. Bonds6

About 1-N,1-N-dimethyl-2-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,2-diamine

1-N,1-N-dimethyl-2-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,2-diamine (PubChem CID 112589367) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-2-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-2-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,2-diamine
PubChem CID112589367
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name1-N,1-N-dimethyl-2-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,2-diamine
SMILESCC(CN(C)C)NCCOC(C)(C)C
InChIInChI=1S/C11H26N2O/c1-10(9-13(5)6)12-7-8-14-11(2,3)4/h10,12H,7-9H2,1-6H3
InChIKeyBAYBITMYUYLXLA-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propan-1-ol
CID 112588775
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pentan-2-amine
CID 62597643
1-N,1-N-dimethyl-2-N-(2-propoxyethyl)propane-1,2-diamine
CID 106452397
2-N-(3-methoxy-3-methylbutyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 103019955
2-N-(2-cyclopropylethyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82937931
3-[1-(dimethylamino)propan-2-ylamino]propan-1-ol
CID 82937925
2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 23008779
ethyl 2-[2-[1-(dimethylamino)propan-2-ylamino]ethoxy]acetate
CID 103260824
(1S)-1-cyclopentyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 103939598
ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propanoate
CID 112691084
N,N,2,2-tetramethyl-N'-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diamine
CID 112588610
tert-butyl N-[2-[[1-(dimethylamino)propan-2-ylamino]methyl]-3-methylbutyl]carbamate
CID 107442613

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-2-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,2-diamine?
The IUPAC name of 1-N,1-N-dimethyl-2-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,2-diamine (CID 112589367) is 1-N,1-N-dimethyl-2-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-2-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-2-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,2-diamine is CC(CN(C)C)NCCOC(C)(C)C.
What is the InChIKey of 1-N,1-N-dimethyl-2-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,2-diamine?
The InChIKey is BAYBITMYUYLXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-10(9-13(5)6)12-7-8-14-11(2,3)4/h10,12H,7-9H2,1-6H3.
What are the key properties of 1-N,1-N-dimethyl-2-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,2-diamine?
1-N,1-N-dimethyl-2-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,2-diamine has a molecular weight of 202.34 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-2-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,2-diamine is sourced from PubChem (CID 112589367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).