N'-[4-(2-ethyl-2-propylhydrazinyl)phenyl]methanediamine

C12H22N4 — CID 168926866

IUPACN'-[4-(2-ethyl-2-propylhydrazinyl)phenyl]methanediamine
SMILESCCCN(CC)Nc1ccc(NCN)cc1
InChIInChI=1S/C12H22N4/c1-3-9-16(4-2)15-12-7-5-11(6-8-12)14-10-13/h5-8,14-15H,3-4,9-10,13H2,1-2H3
InChIKeyBWGPBOIPKZMSGW-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.07
Rot. Bonds7

About N'-[4-(2-ethyl-2-propylhydrazinyl)phenyl]methanediamine

N'-[4-(2-ethyl-2-propylhydrazinyl)phenyl]methanediamine (PubChem CID 168926866) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N'-[4-(2-ethyl-2-propylhydrazinyl)phenyl]methanediamine.

Molecular Properties

Compound NameN'-[4-(2-ethyl-2-propylhydrazinyl)phenyl]methanediamine
PubChem CID168926866
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN'-[4-(2-ethyl-2-propylhydrazinyl)phenyl]methanediamine
SMILESCCCN(CC)Nc1ccc(NCN)cc1
InChIInChI=1S/C12H22N4/c1-3-9-16(4-2)15-12-7-5-11(6-8-12)14-10-13/h5-8,14-15H,3-4,9-10,13H2,1-2H3
InChIKeyBWGPBOIPKZMSGW-UHFFFAOYSA-N
XLogP2.07
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-ethyl-2-propylhydrazinyl)phenyl]methanediamine?
The IUPAC name of N'-[4-(2-ethyl-2-propylhydrazinyl)phenyl]methanediamine (CID 168926866) is N'-[4-(2-ethyl-2-propylhydrazinyl)phenyl]methanediamine.
What is the SMILES notation for N'-[4-(2-ethyl-2-propylhydrazinyl)phenyl]methanediamine?
The canonical SMILES for N'-[4-(2-ethyl-2-propylhydrazinyl)phenyl]methanediamine is CCCN(CC)Nc1ccc(NCN)cc1.
What is the InChIKey of N'-[4-(2-ethyl-2-propylhydrazinyl)phenyl]methanediamine?
The InChIKey is BWGPBOIPKZMSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-9-16(4-2)15-12-7-5-11(6-8-12)14-10-13/h5-8,14-15H,3-4,9-10,13H2,1-2H3.
What are the key properties of N'-[4-(2-ethyl-2-propylhydrazinyl)phenyl]methanediamine?
N'-[4-(2-ethyl-2-propylhydrazinyl)phenyl]methanediamine has a molecular weight of 222.34 g/mol, XLogP of 2.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-ethyl-2-propylhydrazinyl)phenyl]methanediamine is sourced from PubChem (CID 168926866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).