N'-[4-[(Z)-1-methoxybut-1-enyl]phenyl]ethane-1,2-diamine

C13H20N2O — CID 70837669

IUPACN'-[4-[(Z)-1-methoxybut-1-enyl]phenyl]ethane-1,2-diamine
SMILESCC/C=C(\OC)c1ccc(NCCN)cc1
InChIInChI=1S/C13H20N2O/c1-3-4-13(16-2)11-5-7-12(8-6-11)15-10-9-14/h4-8,15H,3,9-10,14H2,1-2H3/b13-4-
InChIKeyZTWLXLCBZYQXSD-PQMHYQBVSA-N
MW220.32 g/mol
LogP2.45
Rot. Bonds6

About N'-[4-[(Z)-1-methoxybut-1-enyl]phenyl]ethane-1,2-diamine

N'-[4-[(Z)-1-methoxybut-1-enyl]phenyl]ethane-1,2-diamine (PubChem CID 70837669) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N'-[4-[(Z)-1-methoxybut-1-enyl]phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-[(Z)-1-methoxybut-1-enyl]phenyl]ethane-1,2-diamine
PubChem CID70837669
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN'-[4-[(Z)-1-methoxybut-1-enyl]phenyl]ethane-1,2-diamine
SMILESCC/C=C(\OC)c1ccc(NCCN)cc1
InChIInChI=1S/C13H20N2O/c1-3-4-13(16-2)11-5-7-12(8-6-11)15-10-9-14/h4-8,15H,3,9-10,14H2,1-2H3/b13-4-
InChIKeyZTWLXLCBZYQXSD-PQMHYQBVSA-N
XLogP2.45
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-[(Z)-1-methoxybut-1-enyl]phenyl]ethane-1,2-diamine?
The IUPAC name of N'-[4-[(Z)-1-methoxybut-1-enyl]phenyl]ethane-1,2-diamine (CID 70837669) is N'-[4-[(Z)-1-methoxybut-1-enyl]phenyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[4-[(Z)-1-methoxybut-1-enyl]phenyl]ethane-1,2-diamine?
The canonical SMILES for N'-[4-[(Z)-1-methoxybut-1-enyl]phenyl]ethane-1,2-diamine is CC/C=C(\OC)c1ccc(NCCN)cc1.
What is the InChIKey of N'-[4-[(Z)-1-methoxybut-1-enyl]phenyl]ethane-1,2-diamine?
The InChIKey is ZTWLXLCBZYQXSD-PQMHYQBVSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-4-13(16-2)11-5-7-12(8-6-11)15-10-9-14/h4-8,15H,3,9-10,14H2,1-2H3/b13-4-.
What are the key properties of N'-[4-[(Z)-1-methoxybut-1-enyl]phenyl]ethane-1,2-diamine?
N'-[4-[(Z)-1-methoxybut-1-enyl]phenyl]ethane-1,2-diamine has a molecular weight of 220.32 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(Z)-1-methoxybut-1-enyl]phenyl]ethane-1,2-diamine is sourced from PubChem (CID 70837669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).