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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Related Compounds

5,7-Dimethyl-2,3-dihydro-1H-[1,4]diazepine
CID 81731
(4E)-N-(Propan-2-yl)-4-[(propan-2-yl)imino]pent-2-en-2-amine
CID 71353734
2,4,9,11-Tetramethyl-1,5,8,12-tetraazacyclotetradeca-1,3,9,11-tetraene
CID 10890274
2-(Methylamino)-4-(methylimino)-pentene-2
CID 14983634
(Z)-N-ethyl-4-ethyliminopent-2-en-2-amine
CID 22857106
(Z)-N-(2-methylpropyl)-4-(2-methylpropylimino)pent-2-en-2-amine
CID 49804015
N-Methyl-4-(methylimino)-2-penten-2-amine
CID 72320248
(Z)-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
CID 102023638
(Z)-N-propyl-4-propyliminopent-2-en-2-amine
CID 102026407
(E)-4-fluoro-N-[(Z)-1-piperazin-1-ylprop-1-en-2-yl]pent-3-en-2-imine
CID 123842165
N-[(Z)-4-[2-(diethylamino)ethylimino]pent-2-en-2-yl]-N',N'-diethylethane-1,2-diamine
CID 15960143
(Z)-N-prop-2-enyl-4-prop-2-enyliminopent-2-en-2-amine
CID 25137124

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).