2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine

C12H28N2O — CID 81059114

IUPAC2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine
SMILESCCCC(C)(CN)N(C)CCOC(C)C
InChIInChI=1S/C12H28N2O/c1-6-7-12(4,10-13)14(5)8-9-15-11(2)3/h11H,6-10,13H2,1-5H3
InChIKeyDCKMHPJJVOMYHQ-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.86
Rot. Bonds8

About 2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine

2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine (PubChem CID 81059114) 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-propan-2-yloxyethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine
PubChem CID81059114
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine
SMILESCCCC(C)(CN)N(C)CCOC(C)C
InChIInChI=1S/C12H28N2O/c1-6-7-12(4,10-13)14(5)8-9-15-11(2)3/h11H,6-10,13H2,1-5H3
InChIKeyDCKMHPJJVOMYHQ-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)heptane-1,2-diamine
CID 81059026
2-cyclopropyl-2-N-methyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine
CID 114276025
2-N,2-dimethyl-2-N-[2-(2-methylpropoxy)ethyl]butane-1,2-diamine
CID 106450923
2-N,2-dimethyl-2-N-pentylnonane-1,2-diamine
CID 43294671
2-N-butyl-2-N,2-dimethylnonane-1,2-diamine
CID 43089517
2-N,2-dimethyl-2-N-(2-methylpropyl)nonane-1,2-diamine
CID 43271963
2-N-(2-ethoxyethyl)-6,6,6-trifluoro-2-N,2-dimethylhexane-1,2-diamine
CID 116535393
2-N-[2-(dimethylamino)ethyl]-2-N,2-dimethylnonane-1,2-diamine
CID 55227526
1-N,2-dimethyl-1-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81055039
2-N,2-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 61425963
2-(aminomethyl)-2-methyl-4-propan-2-yloxybutan-1-ol
CID 106506251
2-N,4,4-trimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine
CID 81059317

Frequently Asked Questions

What is the IUPAC name of 2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine?
The IUPAC name of 2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine (CID 81059114) is 2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine?
The canonical SMILES for 2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine is CCCC(C)(CN)N(C)CCOC(C)C.
What is the InChIKey of 2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine?
The InChIKey is DCKMHPJJVOMYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-6-7-12(4,10-13)14(5)8-9-15-11(2)3/h11H,6-10,13H2,1-5H3.
What are the key properties of 2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine?
2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.86, 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-propan-2-yloxyethyl)pentane-1,2-diamine is sourced from PubChem (CID 81059114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).