N'-[(Z)-4-(2-aminoethylimino)pent-2-en-2-yl]ethane-1,2-diamine

C9H20N4 — CID 162408251

IUPACN'-[(Z)-4-(2-aminoethylimino)pent-2-en-2-yl]ethane-1,2-diamine
SMILESC/C(=C/C(C)=N/CCN)NCCN
InChIInChI=1S/C9H20N4/c1-8(12-5-3-10)7-9(2)13-6-4-11/h7,12H,3-6,10-11H2,1-2H3/b8-7-,13-9+
InChIKeyVFGRMCKEWYOLCK-XTYDYKDCSA-N
MW184.29 g/mol
LogP-0.14
Rot. Bonds6

About N'-[(Z)-4-(2-aminoethylimino)pent-2-en-2-yl]ethane-1,2-diamine

N'-[(Z)-4-(2-aminoethylimino)pent-2-en-2-yl]ethane-1,2-diamine (PubChem CID 162408251) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is N'-[(Z)-4-(2-aminoethylimino)pent-2-en-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(Z)-4-(2-aminoethylimino)pent-2-en-2-yl]ethane-1,2-diamine
PubChem CID162408251
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC NameN'-[(Z)-4-(2-aminoethylimino)pent-2-en-2-yl]ethane-1,2-diamine
SMILESC/C(=C/C(C)=N/CCN)NCCN
InChIInChI=1S/C9H20N4/c1-8(12-5-3-10)7-9(2)13-6-4-11/h7,12H,3-6,10-11H2,1-2H3/b8-7-,13-9+
InChIKeyVFGRMCKEWYOLCK-XTYDYKDCSA-N
XLogP-0.14
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-4-(2-aminoethylimino)pent-2-en-2-yl]ethane-1,2-diamine?
The IUPAC name of N'-[(Z)-4-(2-aminoethylimino)pent-2-en-2-yl]ethane-1,2-diamine (CID 162408251) is N'-[(Z)-4-(2-aminoethylimino)pent-2-en-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(Z)-4-(2-aminoethylimino)pent-2-en-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[(Z)-4-(2-aminoethylimino)pent-2-en-2-yl]ethane-1,2-diamine is C/C(=C/C(C)=N/CCN)NCCN.
What is the InChIKey of N'-[(Z)-4-(2-aminoethylimino)pent-2-en-2-yl]ethane-1,2-diamine?
The InChIKey is VFGRMCKEWYOLCK-XTYDYKDCSA-N. The full InChI is InChI=1S/C9H20N4/c1-8(12-5-3-10)7-9(2)13-6-4-11/h7,12H,3-6,10-11H2,1-2H3/b8-7-,13-9+.
What are the key properties of N'-[(Z)-4-(2-aminoethylimino)pent-2-en-2-yl]ethane-1,2-diamine?
N'-[(Z)-4-(2-aminoethylimino)pent-2-en-2-yl]ethane-1,2-diamine has a molecular weight of 184.29 g/mol, XLogP of -0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-4-(2-aminoethylimino)pent-2-en-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 162408251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).