1-N-ethyl-1-N,2-N-dimethylpentane-1,2-diamine

C9H22N2 — CID 62044232

IUPAC1-N-ethyl-1-N,2-N-dimethylpentane-1,2-diamine
SMILESCCCC(CN(C)CC)NC
InChIInChI=1S/C9H22N2/c1-5-7-9(10-3)8-11(4)6-2/h9-10H,5-8H2,1-4H3
InChIKeyHEDRSGYIXUEFEY-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.33
Rot. Bonds6

About 1-N-ethyl-1-N,2-N-dimethylpentane-1,2-diamine

1-N-ethyl-1-N,2-N-dimethylpentane-1,2-diamine (PubChem CID 62044232) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 1-N-ethyl-1-N,2-N-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N,2-N-dimethylpentane-1,2-diamine
PubChem CID62044232
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name1-N-ethyl-1-N,2-N-dimethylpentane-1,2-diamine
SMILESCCCC(CN(C)CC)NC
InChIInChI=1S/C9H22N2/c1-5-7-9(10-3)8-11(4)6-2/h9-10H,5-8H2,1-4H3
InChIKeyHEDRSGYIXUEFEY-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N,2-N-dimethylpentane-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-N,2-N-dimethylpentane-1,2-diamine (CID 62044232) is 1-N-ethyl-1-N,2-N-dimethylpentane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-N,2-N-dimethylpentane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-N,2-N-dimethylpentane-1,2-diamine is CCCC(CN(C)CC)NC.
What is the InChIKey of 1-N-ethyl-1-N,2-N-dimethylpentane-1,2-diamine?
The InChIKey is HEDRSGYIXUEFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-5-7-9(10-3)8-11(4)6-2/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-N-ethyl-1-N,2-N-dimethylpentane-1,2-diamine?
1-N-ethyl-1-N,2-N-dimethylpentane-1,2-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N,2-N-dimethylpentane-1,2-diamine is sourced from PubChem (CID 62044232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).