3-(2,2-dimethylpropyliminomethylideneamino)-N,N-dimethylpropan-1-amine

C₁₁H₂₃N₃ — CID 174829721

About 3-(2,2-dimethylpropyliminomethylideneamino)-N,N-dimethylpropan-1-amine

3-(2,2-dimethylpropyliminomethylideneamino)-N,N-dimethylpropan-1-amine (PubChem CID 174829721) has the molecular formula C₁₁H₂₃N₃ and a molecular weight of 197.33 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyliminomethylideneamino)-N,N-dimethylpropan-1-amine.

Molecular Properties

• Compound Name: 3-(2,2-dimethylpropyliminomethylideneamino)-N,N-dimethylpropan-1-amine
• PubChem CID: 174829721
• Molecular Formula: C₁₁H₂₃N₃
• Molecular Weight: 197.33 g/mol
• Exact Mass: 197.19
• IUPAC Name: 3-(2,2-dimethylpropyliminomethylideneamino)-N,N-dimethylpropan-1-amine
• SMILES: CN(C)CCCN=C=NCC(C)(C)C
• InChI: InChI=1S/C11H23N3/c1-11(2,3)9-13-10-12-7-6-8-14(4)5/h6-9H2,1-5H3
• InChIKey: OYRQQUDDDVVJHQ-UHFFFAOYSA-N
• XLogP: 2.16
• TPSA: 27.96 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	197.33
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyliminomethylideneamino)-N,N-dimethylpropan-1-amine?

The IUPAC name of 3-(2,2-dimethylpropyliminomethylideneamino)-N,N-dimethylpropan-1-amine (CID 174829721) is 3-(2,2-dimethylpropyliminomethylideneamino)-N,N-dimethylpropan-1-amine.

What is the SMILES notation for 3-(2,2-dimethylpropyliminomethylideneamino)-N,N-dimethylpropan-1-amine?

The canonical SMILES for 3-(2,2-dimethylpropyliminomethylideneamino)-N,N-dimethylpropan-1-amine is CN(C)CCCN=C=NCC(C)(C)C.

What is the InChIKey of 3-(2,2-dimethylpropyliminomethylideneamino)-N,N-dimethylpropan-1-amine?

The InChIKey is OYRQQUDDDVVJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-11(2,3)9-13-10-12-7-6-8-14(4)5/h6-9H2,1-5H3.

What are the key properties of 3-(2,2-dimethylpropyliminomethylideneamino)-N,N-dimethylpropan-1-amine?

3-(2,2-dimethylpropyliminomethylideneamino)-N,N-dimethylpropan-1-amine has a molecular weight of 197.33 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,2-dimethylpropyliminomethylideneamino)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 174829721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 174829721 — identifiers, structure, computed properties (public domain)

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