N'-ethyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine

C9H22N2 — CID 126661238

IUPACN'-ethyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
SMILESCCN(CCN)C(C)C(C)C
InChIInChI=1S/C9H22N2/c1-5-11(7-6-10)9(4)8(2)3/h8-9H,5-7,10H2,1-4H3
InChIKeyGWBDKYRUPXYDTJ-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.31
Rot. Bonds5

About N'-ethyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine

N'-ethyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine (PubChem CID 126661238) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is N'-ethyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
PubChem CID126661238
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC NameN'-ethyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
SMILESCCN(CCN)C(C)C(C)C
InChIInChI=1S/C9H22N2/c1-5-11(7-6-10)9(4)8(2)3/h8-9H,5-7,10H2,1-4H3
InChIKeyGWBDKYRUPXYDTJ-UHFFFAOYSA-N
XLogP1.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine (CID 126661238) is N'-ethyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine is CCN(CCN)C(C)C(C)C.
What is the InChIKey of N'-ethyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine?
The InChIKey is GWBDKYRUPXYDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-5-11(7-6-10)9(4)8(2)3/h8-9H,5-7,10H2,1-4H3.
What are the key properties of N'-ethyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine?
N'-ethyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 126661238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).