2-N-[2-(dimethylamino)ethyl]-4-methoxy-4-methylpentane-1,2-diamine

C11H27N3O — CID 106675732

IUPAC2-N-[2-(dimethylamino)ethyl]-4-methoxy-4-methylpentane-1,2-diamine
SMILESCOC(C)(C)CC(CN)NCCN(C)C
InChIInChI=1S/C11H27N3O/c1-11(2,15-5)8-10(9-12)13-6-7-14(3)4/h10,13H,6-9,12H2,1-5H3
InChIKeyMEDCQFXMCOLKQR-UHFFFAOYSA-N
MW217.36 g/mol
LogP0.28
Rot. Bonds8

About 2-N-[2-(dimethylamino)ethyl]-4-methoxy-4-methylpentane-1,2-diamine

2-N-[2-(dimethylamino)ethyl]-4-methoxy-4-methylpentane-1,2-diamine (PubChem CID 106675732) has the molecular formula C11H27N3O and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-4-methoxy-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-4-methoxy-4-methylpentane-1,2-diamine
PubChem CID106675732
Molecular FormulaC11H27N3O
Molecular Weight217.36 g/mol
Exact Mass217.22
IUPAC Name2-N-[2-(dimethylamino)ethyl]-4-methoxy-4-methylpentane-1,2-diamine
SMILESCOC(C)(C)CC(CN)NCCN(C)C
InChIInChI=1S/C11H27N3O/c1-11(2,15-5)8-10(9-12)13-6-7-14(3)4/h10,13H,6-9,12H2,1-5H3
InChIKeyMEDCQFXMCOLKQR-UHFFFAOYSA-N
XLogP0.28
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-4-methoxy-4-methylpentane-1,2-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-4-methoxy-4-methylpentane-1,2-diamine (CID 106675732) is 2-N-[2-(dimethylamino)ethyl]-4-methoxy-4-methylpentane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-4-methoxy-4-methylpentane-1,2-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-4-methoxy-4-methylpentane-1,2-diamine is COC(C)(C)CC(CN)NCCN(C)C.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-4-methoxy-4-methylpentane-1,2-diamine?
The InChIKey is MEDCQFXMCOLKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3O/c1-11(2,15-5)8-10(9-12)13-6-7-14(3)4/h10,13H,6-9,12H2,1-5H3.
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-4-methoxy-4-methylpentane-1,2-diamine?
2-N-[2-(dimethylamino)ethyl]-4-methoxy-4-methylpentane-1,2-diamine has a molecular weight of 217.36 g/mol, XLogP of 0.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-4-methoxy-4-methylpentane-1,2-diamine is sourced from PubChem (CID 106675732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).