3-(iminomethylideneamino)propan-1-amine;hydrochloride

C4H10ClN3 — CID 87898615

IUPAC3-(iminomethylideneamino)propan-1-amine;hydrochloride
SMILESCl.N=C=NCCCN
InChIInChI=1S/C4H9N3.ClH/c5-2-1-3-7-4-6;/h6H,1-3,5H2;1H
InChIKeyIQQYLBIFFAFHPD-UHFFFAOYSA-N
MW135.60 g/mol
LogP0.51
Rot. Bonds3

About 3-(iminomethylideneamino)propan-1-amine;hydrochloride

3-(iminomethylideneamino)propan-1-amine;hydrochloride (PubChem CID 87898615) has the molecular formula C4H10ClN3 and a molecular weight of 135.60 g/mol. Its IUPAC name is 3-(iminomethylideneamino)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(iminomethylideneamino)propan-1-amine;hydrochloride
PubChem CID87898615
Molecular FormulaC4H10ClN3
Molecular Weight135.60 g/mol
Exact Mass135.06
IUPAC Name3-(iminomethylideneamino)propan-1-amine;hydrochloride
SMILESCl.N=C=NCCCN
InChIInChI=1S/C4H9N3.ClH/c5-2-1-3-7-4-6;/h6H,1-3,5H2;1H
InChIKeyIQQYLBIFFAFHPD-UHFFFAOYSA-N
XLogP0.51
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.60
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N'-(6,6-dichlorohexyl)methanediimine;hydrochloride
CID 162330492
3-(iminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane
CID 19063554
hexane-1,6-diamine;isothiocyanic acid
CID 172829744
N-methylmethanamine;N'-propylmethanediimine
CID 21287161
2-(3-aminopropyl)-1-[N'-(3-aminopropyl)carbamimidoyl]guanidine
CID 150669227
1,3-diisocyanatopropane;isocyanic acid
CID 174386092
decane-1,10-diamine;nonane-1,9-diamine
CID 18179225
iron(3+);propane-1,3-diamine
CID 18953212
octatriacontane-1,38-diamine
CID 54235792
4-(3-aminopropylimino)butan-1-amine
CID 23657850
icosane-1,20-diamine;nonadecane-1,19-diamine
CID 155315822
azane;butane-1,4-diamine
CID 87378889

Frequently Asked Questions

What is the IUPAC name of 3-(iminomethylideneamino)propan-1-amine;hydrochloride?
The IUPAC name of 3-(iminomethylideneamino)propan-1-amine;hydrochloride (CID 87898615) is 3-(iminomethylideneamino)propan-1-amine;hydrochloride.
What is the SMILES notation for 3-(iminomethylideneamino)propan-1-amine;hydrochloride?
The canonical SMILES for 3-(iminomethylideneamino)propan-1-amine;hydrochloride is Cl.N=C=NCCCN.
What is the InChIKey of 3-(iminomethylideneamino)propan-1-amine;hydrochloride?
The InChIKey is IQQYLBIFFAFHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3.ClH/c5-2-1-3-7-4-6;/h6H,1-3,5H2;1H.
What are the key properties of 3-(iminomethylideneamino)propan-1-amine;hydrochloride?
3-(iminomethylideneamino)propan-1-amine;hydrochloride has a molecular weight of 135.60 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(iminomethylideneamino)propan-1-amine;hydrochloride is sourced from PubChem (CID 87898615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).