2-N,2-dimethyl-2-N-[2-(2-methylpropoxy)ethyl]butane-1,2-diamine

C12H28N2O — CID 106450923

IUPAC2-N,2-dimethyl-2-N-[2-(2-methylpropoxy)ethyl]butane-1,2-diamine
SMILESCCC(C)(CN)N(C)CCOCC(C)C
InChIInChI=1S/C12H28N2O/c1-6-12(4,10-13)14(5)7-8-15-9-11(2)3/h11H,6-10,13H2,1-5H3
InChIKeyDOVVVEMSQBGMEF-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.72
Rot. Bonds8

About 2-N,2-dimethyl-2-N-[2-(2-methylpropoxy)ethyl]butane-1,2-diamine

2-N,2-dimethyl-2-N-[2-(2-methylpropoxy)ethyl]butane-1,2-diamine (PubChem CID 106450923) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-N,2-dimethyl-2-N-[2-(2-methylpropoxy)ethyl]butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-dimethyl-2-N-[2-(2-methylpropoxy)ethyl]butane-1,2-diamine
PubChem CID106450923
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name2-N,2-dimethyl-2-N-[2-(2-methylpropoxy)ethyl]butane-1,2-diamine
SMILESCCC(C)(CN)N(C)CCOCC(C)C
InChIInChI=1S/C12H28N2O/c1-6-12(4,10-13)14(5)7-8-15-9-11(2)3/h11H,6-10,13H2,1-5H3
InChIKeyDOVVVEMSQBGMEF-UHFFFAOYSA-N
XLogP1.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.72
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-N,2-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 61425963
2-N,2-dimethyl-2-N-pentylbutane-1,2-diamine
CID 43294696
2-ethyl-2-[2-(2-methylpropoxy)ethyl]hexan-1-amine
CID 106456779
2-N,2-dimethyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]butane-1,2-diamine
CID 62010380
2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)heptane-1,2-diamine
CID 81059026
2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine
CID 81059114
2-N-(2-ethoxyethyl)-6,6,6-trifluoro-2-N,2-dimethylhexane-1,2-diamine
CID 116535393
3-methoxy-2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine
CID 62534549
1-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropan-2-ol
CID 106456234
N-tert-butyl-N'-methyl-N'-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine
CID 106453519
2-N,2-dimethyl-2-N-(2-methylpropyl)nonane-1,2-diamine
CID 43271963
2-N,2-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,2-diamine
CID 82889191

Frequently Asked Questions

What is the IUPAC name of 2-N,2-dimethyl-2-N-[2-(2-methylpropoxy)ethyl]butane-1,2-diamine?
The IUPAC name of 2-N,2-dimethyl-2-N-[2-(2-methylpropoxy)ethyl]butane-1,2-diamine (CID 106450923) is 2-N,2-dimethyl-2-N-[2-(2-methylpropoxy)ethyl]butane-1,2-diamine.
What is the SMILES notation for 2-N,2-dimethyl-2-N-[2-(2-methylpropoxy)ethyl]butane-1,2-diamine?
The canonical SMILES for 2-N,2-dimethyl-2-N-[2-(2-methylpropoxy)ethyl]butane-1,2-diamine is CCC(C)(CN)N(C)CCOCC(C)C.
What is the InChIKey of 2-N,2-dimethyl-2-N-[2-(2-methylpropoxy)ethyl]butane-1,2-diamine?
The InChIKey is DOVVVEMSQBGMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-6-12(4,10-13)14(5)7-8-15-9-11(2)3/h11H,6-10,13H2,1-5H3.
What are the key properties of 2-N,2-dimethyl-2-N-[2-(2-methylpropoxy)ethyl]butane-1,2-diamine?
2-N,2-dimethyl-2-N-[2-(2-methylpropoxy)ethyl]butane-1,2-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-dimethyl-2-N-[2-(2-methylpropoxy)ethyl]butane-1,2-diamine is sourced from PubChem (CID 106450923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).