N'-[2-(dimethylamino)ethyl]-2-methyl-N'-propylbutane-1,4-diamine

C12H29N3 — CID 81080602

IUPACN'-[2-(dimethylamino)ethyl]-2-methyl-N'-propylbutane-1,4-diamine
SMILESCCCN(CCC(C)CN)CCN(C)C
InChIInChI=1S/C12H29N3/c1-5-7-15(10-9-14(3)4)8-6-12(2)11-13/h12H,5-11,13H2,1-4H3
InChIKeyZNXRHYPRCOIDPF-UHFFFAOYSA-N
MW215.38 g/mol
LogP1.24
Rot. Bonds9

About N'-[2-(dimethylamino)ethyl]-2-methyl-N'-propylbutane-1,4-diamine

N'-[2-(dimethylamino)ethyl]-2-methyl-N'-propylbutane-1,4-diamine (PubChem CID 81080602) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is N'-[2-(dimethylamino)ethyl]-2-methyl-N'-propylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-[2-(dimethylamino)ethyl]-2-methyl-N'-propylbutane-1,4-diamine
PubChem CID81080602
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC NameN'-[2-(dimethylamino)ethyl]-2-methyl-N'-propylbutane-1,4-diamine
SMILESCCCN(CCC(C)CN)CCN(C)C
InChIInChI=1S/C12H29N3/c1-5-7-15(10-9-14(3)4)8-6-12(2)11-13/h12H,5-11,13H2,1-4H3
InChIKeyZNXRHYPRCOIDPF-UHFFFAOYSA-N
XLogP1.24
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)ethyl]-2-methyl-N'-propylbutane-1,4-diamine?
The IUPAC name of N'-[2-(dimethylamino)ethyl]-2-methyl-N'-propylbutane-1,4-diamine (CID 81080602) is N'-[2-(dimethylamino)ethyl]-2-methyl-N'-propylbutane-1,4-diamine.
What is the SMILES notation for N'-[2-(dimethylamino)ethyl]-2-methyl-N'-propylbutane-1,4-diamine?
The canonical SMILES for N'-[2-(dimethylamino)ethyl]-2-methyl-N'-propylbutane-1,4-diamine is CCCN(CCC(C)CN)CCN(C)C.
What is the InChIKey of N'-[2-(dimethylamino)ethyl]-2-methyl-N'-propylbutane-1,4-diamine?
The InChIKey is ZNXRHYPRCOIDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3/c1-5-7-15(10-9-14(3)4)8-6-12(2)11-13/h12H,5-11,13H2,1-4H3.
What are the key properties of N'-[2-(dimethylamino)ethyl]-2-methyl-N'-propylbutane-1,4-diamine?
N'-[2-(dimethylamino)ethyl]-2-methyl-N'-propylbutane-1,4-diamine has a molecular weight of 215.38 g/mol, XLogP of 1.24, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)ethyl]-2-methyl-N'-propylbutane-1,4-diamine is sourced from PubChem (CID 81080602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).