2-aminoethyl-[(Z)-3-iminoprop-1-enyl]azanium

C5H12N3+ — CID 142039075

IUPAC2-aminoethyl-[(Z)-3-iminoprop-1-enyl]azanium
SMILES[H]/N=C/C=C\[NH2+]CCN
InChIInChI=1S/C5H11N3/c6-2-1-4-8-5-3-7/h1-2,4,6,8H,3,5,7H2/p+1/b4-1-,6-2+
InChIKeyCKULASVXOWQXFU-FFYFFONTSA-O
MW114.17 g/mol
LogP-1.33
Rot. Bonds4

About 2-aminoethyl-[(Z)-3-iminoprop-1-enyl]azanium

2-aminoethyl-[(Z)-3-iminoprop-1-enyl]azanium (PubChem CID 142039075) has the molecular formula C5H12N3+ and a molecular weight of 114.17 g/mol. Its IUPAC name is 2-aminoethyl-[(Z)-3-iminoprop-1-enyl]azanium.

Molecular Properties

Compound Name2-aminoethyl-[(Z)-3-iminoprop-1-enyl]azanium
PubChem CID142039075
Molecular FormulaC5H12N3+
Molecular Weight114.17 g/mol
Exact Mass114.10
IUPAC Name2-aminoethyl-[(Z)-3-iminoprop-1-enyl]azanium
SMILES[H]/N=C/C=C\[NH2+]CCN
InChIInChI=1S/C5H11N3/c6-2-1-4-8-5-3-7/h1-2,4,6,8H,3,5,7H2/p+1/b4-1-,6-2+
InChIKeyCKULASVXOWQXFU-FFYFFONTSA-O
XLogP-1.33
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1H-1,4-Diazepine
CID 12312963
2,3-Dihydro-1H-1,4-diazepine
CID 12462155
(Z)-N-methyl-3-methyliminoprop-1-en-1-amine
CID 10606703
N-(3-methylamino-2-propenylidene)methylamine
CID 85203886
[1,4,7]Triazacycloundecin
CID 129814489
(E)-N-methyl-3-methyliminoprop-1-en-1-amine
CID 12425496
2-methyl-2,3-dihydro-1H-1,4-diazepine
CID 12462157
2,5-dihydro-1H-1,4-diazepine
CID 58550589
dimethyl-[(E)-3-(methylamino)prop-2-enylidene]azanium
CID 59154262
(15Z)-1,4,7,10,13-pentazacyclohexadeca-13,15-diene
CID 59529661
2-iodo-2,3-dihydro-1H-1,4-diazepine
CID 69297388
1,4-Dihydro-1,5-diazocine
CID 69641589

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl-[(Z)-3-iminoprop-1-enyl]azanium?
The IUPAC name of 2-aminoethyl-[(Z)-3-iminoprop-1-enyl]azanium (CID 142039075) is 2-aminoethyl-[(Z)-3-iminoprop-1-enyl]azanium.
What is the SMILES notation for 2-aminoethyl-[(Z)-3-iminoprop-1-enyl]azanium?
The canonical SMILES for 2-aminoethyl-[(Z)-3-iminoprop-1-enyl]azanium is [H]/N=C/C=C\[NH2+]CCN.
What is the InChIKey of 2-aminoethyl-[(Z)-3-iminoprop-1-enyl]azanium?
The InChIKey is CKULASVXOWQXFU-FFYFFONTSA-O. The full InChI is InChI=1S/C5H11N3/c6-2-1-4-8-5-3-7/h1-2,4,6,8H,3,5,7H2/p+1/b4-1-,6-2+.
What are the key properties of 2-aminoethyl-[(Z)-3-iminoprop-1-enyl]azanium?
2-aminoethyl-[(Z)-3-iminoprop-1-enyl]azanium has a molecular weight of 114.17 g/mol, XLogP of -1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl-[(Z)-3-iminoprop-1-enyl]azanium is sourced from PubChem (CID 142039075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).