2-N-[2-(dimethylamino)ethyl]-4-N,2,4-trimethylpentane-2,4-diamine

C12H29N3 — CID 139522188

IUPAC2-N-[2-(dimethylamino)ethyl]-4-N,2,4-trimethylpentane-2,4-diamine
SMILESCNC(C)(C)CC(C)(C)NCCN(C)C
InChIInChI=1S/C12H29N3/c1-11(2,13-5)10-12(3,4)14-8-9-15(6)7/h13-14H,8-10H2,1-7H3
InChIKeyVKIOFTJSINULTB-UHFFFAOYSA-N
MW215.38 g/mol
LogP1.30
Rot. Bonds7

About 2-N-[2-(dimethylamino)ethyl]-4-N,2,4-trimethylpentane-2,4-diamine

2-N-[2-(dimethylamino)ethyl]-4-N,2,4-trimethylpentane-2,4-diamine (PubChem CID 139522188) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-4-N,2,4-trimethylpentane-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-4-N,2,4-trimethylpentane-2,4-diamine
PubChem CID139522188
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC Name2-N-[2-(dimethylamino)ethyl]-4-N,2,4-trimethylpentane-2,4-diamine
SMILESCNC(C)(C)CC(C)(C)NCCN(C)C
InChIInChI=1S/C12H29N3/c1-11(2,13-5)10-12(3,4)14-8-9-15(6)7/h13-14H,8-10H2,1-7H3
InChIKeyVKIOFTJSINULTB-UHFFFAOYSA-N
XLogP1.30
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 51.30
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]-4-N,2,4-trimethylpentane-2,4-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-4-N,2,4-trimethylpentane-2,4-diamine (CID 139522188) is 2-N-[2-(dimethylamino)ethyl]-4-N,2,4-trimethylpentane-2,4-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-4-N,2,4-trimethylpentane-2,4-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-4-N,2,4-trimethylpentane-2,4-diamine is CNC(C)(C)CC(C)(C)NCCN(C)C.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-4-N,2,4-trimethylpentane-2,4-diamine?
The InChIKey is VKIOFTJSINULTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3/c1-11(2,13-5)10-12(3,4)14-8-9-15(6)7/h13-14H,8-10H2,1-7H3.
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-4-N,2,4-trimethylpentane-2,4-diamine?
2-N-[2-(dimethylamino)ethyl]-4-N,2,4-trimethylpentane-2,4-diamine has a molecular weight of 215.38 g/mol, XLogP of 1.30, 7 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]-4-N,2,4-trimethylpentane-2,4-diamine is sourced from PubChem (CID 139522188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).