N'-(3-methylbut-2-en-2-yl)ethane-1,2-diamine

C7H16N2 — CID 89191615

IUPACN'-(3-methylbut-2-en-2-yl)ethane-1,2-diamine
SMILESCC(C)=C(C)NCCN
InChIInChI=1S/C7H16N2/c1-6(2)7(3)9-5-4-8/h9H,4-5,8H2,1-3H3
InChIKeyNCYATPBOXHCFGI-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.85
Rot. Bonds3

About N'-(3-methylbut-2-en-2-yl)ethane-1,2-diamine

N'-(3-methylbut-2-en-2-yl)ethane-1,2-diamine (PubChem CID 89191615) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is N'-(3-methylbut-2-en-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-methylbut-2-en-2-yl)ethane-1,2-diamine
PubChem CID89191615
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC NameN'-(3-methylbut-2-en-2-yl)ethane-1,2-diamine
SMILESCC(C)=C(C)NCCN
InChIInChI=1S/C7H16N2/c1-6(2)7(3)9-5-4-8/h9H,4-5,8H2,1-3H3
InChIKeyNCYATPBOXHCFGI-UHFFFAOYSA-N
XLogP0.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(3-methylbut-2-en-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(3-methylbut-2-en-2-yl)ethane-1,2-diamine (CID 89191615) is N'-(3-methylbut-2-en-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-methylbut-2-en-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-methylbut-2-en-2-yl)ethane-1,2-diamine is CC(C)=C(C)NCCN.
What is the InChIKey of N'-(3-methylbut-2-en-2-yl)ethane-1,2-diamine?
The InChIKey is NCYATPBOXHCFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-6(2)7(3)9-5-4-8/h9H,4-5,8H2,1-3H3.
What are the key properties of N'-(3-methylbut-2-en-2-yl)ethane-1,2-diamine?
N'-(3-methylbut-2-en-2-yl)ethane-1,2-diamine has a molecular weight of 128.22 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylbut-2-en-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 89191615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).