2-N-butan-2-yl-4-methoxy-2-N,4-dimethylpentane-1,2-diamine

C12H28N2O — CID 106675543

IUPAC2-N-butan-2-yl-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
SMILESCCC(C)N(C)C(CN)CC(C)(C)OC
InChIInChI=1S/C12H28N2O/c1-7-10(2)14(5)11(9-13)8-12(3,4)15-6/h10-11H,7-9,13H2,1-6H3
InChIKeyPEGXEPRLPXAADZ-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.86
Rot. Bonds7

About 2-N-butan-2-yl-4-methoxy-2-N,4-dimethylpentane-1,2-diamine

2-N-butan-2-yl-4-methoxy-2-N,4-dimethylpentane-1,2-diamine (PubChem CID 106675543) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-N-butan-2-yl-4-methoxy-2-N,4-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
PubChem CID106675543
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name2-N-butan-2-yl-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
SMILESCCC(C)N(C)C(CN)CC(C)(C)OC
InChIInChI=1S/C12H28N2O/c1-7-10(2)14(5)11(9-13)8-12(3,4)15-6/h10-11H,7-9,13H2,1-6H3
InChIKeyPEGXEPRLPXAADZ-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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-butan-2-yl-2-N-ethyl-4-methoxy-4-methylpentane-1,2-diamine
CID 106675545
2-N,2-N-diethyl-4-methoxy-4-methylpentane-1,2-diamine
CID 106675498
4-methoxy-2-N,4-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
CID 106675761
2-N-[2-(dimethylamino)ethyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
CID 106675701
2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-4-methylpentane-1,2-diamine
CID 106675630
4-methoxy-2-N,4-dimethyl-2-N-[(2-methylcyclopropyl)methyl]pentane-1,2-diamine
CID 106675705
2-N-(1-ethylpiperidin-4-yl)-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
CID 106675628
4-methoxy-2-N-(2-methoxyphenyl)-2-N,4-dimethylpentane-1,2-diamine
CID 106675642
2-N-butan-2-yl-2-N-methyl-4-methylsulfanylbutane-1,2-diamine
CID 60810848
4-amino-3-[butan-2-yl(methyl)amino]butanamide
CID 66426678
2-N-[(2-bromophenyl)methyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
CID 106675587
4-methoxy-2-N,4-dimethyl-2-N-(pyridin-3-ylmethyl)pentane-1,2-diamine
CID 106675556

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-4-methoxy-2-N,4-dimethylpentane-1,2-diamine?
The IUPAC name of 2-N-butan-2-yl-4-methoxy-2-N,4-dimethylpentane-1,2-diamine (CID 106675543) is 2-N-butan-2-yl-4-methoxy-2-N,4-dimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-butan-2-yl-4-methoxy-2-N,4-dimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-butan-2-yl-4-methoxy-2-N,4-dimethylpentane-1,2-diamine is CCC(C)N(C)C(CN)CC(C)(C)OC.
What is the InChIKey of 2-N-butan-2-yl-4-methoxy-2-N,4-dimethylpentane-1,2-diamine?
The InChIKey is PEGXEPRLPXAADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-7-10(2)14(5)11(9-13)8-12(3,4)15-6/h10-11H,7-9,13H2,1-6H3.
What are the key properties of 2-N-butan-2-yl-4-methoxy-2-N,4-dimethylpentane-1,2-diamine?
2-N-butan-2-yl-4-methoxy-2-N,4-dimethylpentane-1,2-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-4-methoxy-2-N,4-dimethylpentane-1,2-diamine is sourced from PubChem (CID 106675543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).