3-(iminomethylideneamino)-N-methylpropan-1-amine;hydrochloride

C5H12ClN3 — CID 88595597

IUPAC3-(iminomethylideneamino)-N-methylpropan-1-amine;hydrochloride
SMILESCNCCCN=C=N.Cl
InChIInChI=1S/C5H11N3.ClH/c1-7-3-2-4-8-5-6;/h6-7H,2-4H2,1H3;1H
InChIKeyPFDINCKHQMIIBM-UHFFFAOYSA-N
MW149.62 g/mol
LogP0.77
Rot. Bonds4

About 3-(iminomethylideneamino)-N-methylpropan-1-amine;hydrochloride

3-(iminomethylideneamino)-N-methylpropan-1-amine;hydrochloride (PubChem CID 88595597) has the molecular formula C5H12ClN3 and a molecular weight of 149.62 g/mol. Its IUPAC name is 3-(iminomethylideneamino)-N-methylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(iminomethylideneamino)-N-methylpropan-1-amine;hydrochloride
PubChem CID88595597
Molecular FormulaC5H12ClN3
Molecular Weight149.62 g/mol
Exact Mass149.07
IUPAC Name3-(iminomethylideneamino)-N-methylpropan-1-amine;hydrochloride
SMILESCNCCCN=C=N.Cl
InChIInChI=1S/C5H11N3.ClH/c1-7-3-2-4-8-5-6;/h6-7H,2-4H2,1H3;1H
InChIKeyPFDINCKHQMIIBM-UHFFFAOYSA-N
XLogP0.77
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 50.77
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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Frequently Asked Questions

What is the IUPAC name of 3-(iminomethylideneamino)-N-methylpropan-1-amine;hydrochloride?
The IUPAC name of 3-(iminomethylideneamino)-N-methylpropan-1-amine;hydrochloride (CID 88595597) is 3-(iminomethylideneamino)-N-methylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-(iminomethylideneamino)-N-methylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-(iminomethylideneamino)-N-methylpropan-1-amine;hydrochloride is CNCCCN=C=N.Cl.
What is the InChIKey of 3-(iminomethylideneamino)-N-methylpropan-1-amine;hydrochloride?
The InChIKey is PFDINCKHQMIIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3.ClH/c1-7-3-2-4-8-5-6;/h6-7H,2-4H2,1H3;1H.
What are the key properties of 3-(iminomethylideneamino)-N-methylpropan-1-amine;hydrochloride?
3-(iminomethylideneamino)-N-methylpropan-1-amine;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(iminomethylideneamino)-N-methylpropan-1-amine;hydrochloride is sourced from PubChem (CID 88595597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).