2-N-[2-(dimethylamino)ethyl]-3,3-dimethylbutane-1,2-diamine

C10H25N3 — CID 65384160

IUPAC2-N-[2-(dimethylamino)ethyl]-3,3-dimethylbutane-1,2-diamine
SMILESCN(C)CCNC(CN)C(C)(C)C
InChIInChI=1S/C10H25N3/c1-10(2,3)9(8-11)12-6-7-13(4)5/h9,12H,6-8,11H2,1-5H3
InChIKeyAAOHGKOSFVTFJO-UHFFFAOYSA-N
MW187.33 g/mol
LogP0.51
Rot. Bonds5

About 2-N-[2-(dimethylamino)ethyl]-3,3-dimethylbutane-1,2-diamine

2-N-[2-(dimethylamino)ethyl]-3,3-dimethylbutane-1,2-diamine (PubChem CID 65384160) has the molecular formula C10H25N3 and a molecular weight of 187.33 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-3,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-3,3-dimethylbutane-1,2-diamine
PubChem CID65384160
Molecular FormulaC10H25N3
Molecular Weight187.33 g/mol
Exact Mass187.20
IUPAC Name2-N-[2-(dimethylamino)ethyl]-3,3-dimethylbutane-1,2-diamine
SMILESCN(C)CCNC(CN)C(C)(C)C
InChIInChI=1S/C10H25N3/c1-10(2,3)9(8-11)12-6-7-13(4)5/h9,12H,6-8,11H2,1-5H3
InChIKeyAAOHGKOSFVTFJO-UHFFFAOYSA-N
XLogP0.51
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-3,3-dimethylbutane-1,2-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-3,3-dimethylbutane-1,2-diamine (CID 65384160) is 2-N-[2-(dimethylamino)ethyl]-3,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-3,3-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-3,3-dimethylbutane-1,2-diamine is CN(C)CCNC(CN)C(C)(C)C.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-3,3-dimethylbutane-1,2-diamine?
The InChIKey is AAOHGKOSFVTFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3/c1-10(2,3)9(8-11)12-6-7-13(4)5/h9,12H,6-8,11H2,1-5H3.
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-3,3-dimethylbutane-1,2-diamine?
2-N-[2-(dimethylamino)ethyl]-3,3-dimethylbutane-1,2-diamine has a molecular weight of 187.33 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-3,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 65384160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).