3-ethyl-2-N-methyl-2-N-(3-methylbutyl)pentane-1,2-diamine

C13H30N2 — CID 61425759

IUPAC3-ethyl-2-N-methyl-2-N-(3-methylbutyl)pentane-1,2-diamine
SMILESCCC(CC)C(CN)N(C)CCC(C)C
InChIInChI=1S/C13H30N2/c1-6-12(7-2)13(10-14)15(5)9-8-11(3)4/h11-13H,6-10,14H2,1-5H3
InChIKeyNGXJLIAPAKMYET-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.73
Rot. Bonds8

About 3-ethyl-2-N-methyl-2-N-(3-methylbutyl)pentane-1,2-diamine

3-ethyl-2-N-methyl-2-N-(3-methylbutyl)pentane-1,2-diamine (PubChem CID 61425759) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 3-ethyl-2-N-methyl-2-N-(3-methylbutyl)pentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-2-N-methyl-2-N-(3-methylbutyl)pentane-1,2-diamine
PubChem CID61425759
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name3-ethyl-2-N-methyl-2-N-(3-methylbutyl)pentane-1,2-diamine
SMILESCCC(CC)C(CN)N(C)CCC(C)C
InChIInChI=1S/C13H30N2/c1-6-12(7-2)13(10-14)15(5)9-8-11(3)4/h11-13H,6-10,14H2,1-5H3
InChIKeyNGXJLIAPAKMYET-UHFFFAOYSA-N
XLogP2.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-N-methyl-2-N-(3-methylbutyl)pentane-1,2-diamine?
The IUPAC name of 3-ethyl-2-N-methyl-2-N-(3-methylbutyl)pentane-1,2-diamine (CID 61425759) is 3-ethyl-2-N-methyl-2-N-(3-methylbutyl)pentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-2-N-methyl-2-N-(3-methylbutyl)pentane-1,2-diamine?
The canonical SMILES for 3-ethyl-2-N-methyl-2-N-(3-methylbutyl)pentane-1,2-diamine is CCC(CC)C(CN)N(C)CCC(C)C.
What is the InChIKey of 3-ethyl-2-N-methyl-2-N-(3-methylbutyl)pentane-1,2-diamine?
The InChIKey is NGXJLIAPAKMYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-6-12(7-2)13(10-14)15(5)9-8-11(3)4/h11-13H,6-10,14H2,1-5H3.
What are the key properties of 3-ethyl-2-N-methyl-2-N-(3-methylbutyl)pentane-1,2-diamine?
3-ethyl-2-N-methyl-2-N-(3-methylbutyl)pentane-1,2-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-N-methyl-2-N-(3-methylbutyl)pentane-1,2-diamine is sourced from PubChem (CID 61425759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).