3-(butan-2-yliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride

C10H22ClN3 — CID 87594622

IUPAC3-(butan-2-yliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCCC(C)N=C=NCCCN(C)C.Cl
InChIInChI=1S/C10H21N3.ClH/c1-5-10(2)12-9-11-7-6-8-13(3)4;/h10H,5-8H2,1-4H3;1H
InChIKeyAWBFGXUURYPYFW-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.33
Rot. Bonds6

About 3-(butan-2-yliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride

3-(butan-2-yliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride (PubChem CID 87594622) has the molecular formula C10H22ClN3 and a molecular weight of 219.76 g/mol. Its IUPAC name is 3-(butan-2-yliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(butan-2-yliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
PubChem CID87594622
Molecular FormulaC10H22ClN3
Molecular Weight219.76 g/mol
Exact Mass219.15
IUPAC Name3-(butan-2-yliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCCC(C)N=C=NCCCN(C)C.Cl
InChIInChI=1S/C10H21N3.ClH/c1-5-10(2)12-9-11-7-6-8-13(3)4;/h10H,5-8H2,1-4H3;1H
InChIKeyAWBFGXUURYPYFW-UHFFFAOYSA-N
XLogP2.33
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.33
H-Bond Donors ≤ 50
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-(butan-2-yliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of 3-(butan-2-yliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride (CID 87594622) is 3-(butan-2-yliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-(butan-2-yliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-(butan-2-yliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride is CCC(C)N=C=NCCCN(C)C.Cl.
What is the InChIKey of 3-(butan-2-yliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride?
The InChIKey is AWBFGXUURYPYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3.ClH/c1-5-10(2)12-9-11-7-6-8-13(3)4;/h10H,5-8H2,1-4H3;1H.
What are the key properties of 3-(butan-2-yliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride?
3-(butan-2-yliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride has a molecular weight of 219.76 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butan-2-yliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 87594622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).