3-[bis(dimethylamino)methylideneamino]-N-propan-2-ylpropanamide;hydroiodide

Name: 3-[bis(dimethylamino)methylideneamino]-N-propan-2-ylpropanamide;hydroiodide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₂₅IN₄O — CID 111043505

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-[bis(dimethylamino)methylideneamino]-N-propan-2-ylpropanamide;hydroiodide

SMILESCC(C)NC(=O)CCN=C(N(C)C)N(C)C.I

InChIInChI=1S/C11H24N4O.HI/c1-9(2)13-10(16)7-8-12-11(14(3)4)15(5)6;/h9H,7-8H2,1-6H3,(H,13,16);1H

InChIKeyUXTDAJGKLNSIHQ-UHFFFAOYSA-N

MW356.25 g/mol

LogP1.00

Rot. Bonds4

About 3-[bis(dimethylamino)methylideneamino]-N-propan-2-ylpropanamide;hydroiodide

3-[bis(dimethylamino)methylideneamino]-N-propan-2-ylpropanamide;hydroiodide (PubChem CID 111043505) has the molecular formula C₁₁H₂₅IN₄O and a molecular weight of 356.25 g/mol. Its IUPAC name is 3-[bis(dimethylamino)methylideneamino]-N-propan-2-ylpropanamide;hydroiodide.

Molecular Properties

Compound Name	3-[bis(dimethylamino)methylideneamino]-N-propan-2-ylpropanamide;hydroiodide
PubChem CID	111043505
Molecular Formula	C₁₁H₂₅IN₄O
Molecular Weight	356.25 g/mol
Exact Mass	356.11
IUPAC Name	3-[bis(dimethylamino)methylideneamino]-N-propan-2-ylpropanamide;hydroiodide
SMILES	CC(C)NC(=O)CCN=C(N(C)C)N(C)C.I
InChI	InChI=1S/C11H24N4O.HI/c1-9(2)13-10(16)7-8-12-11(14(3)4)15(5)6;/h9H,7-8H2,1-6H3,(H,13,16);1H
InChIKey	UXTDAJGKLNSIHQ-UHFFFAOYSA-N
XLogP	1.00
TPSA	47.94 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	4
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.25
LogP ≤ 5	1.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[bis(dimethylamino)methylideneamino]-N-propan-2-ylpropanamide;hydroiodide?

The IUPAC name of 3-[bis(dimethylamino)methylideneamino]-N-propan-2-ylpropanamide;hydroiodide (CID 111043505) is 3-[bis(dimethylamino)methylideneamino]-N-propan-2-ylpropanamide;hydroiodide.

What is the SMILES notation for 3-[bis(dimethylamino)methylideneamino]-N-propan-2-ylpropanamide;hydroiodide?

The canonical SMILES for 3-[bis(dimethylamino)methylideneamino]-N-propan-2-ylpropanamide;hydroiodide is CC(C)NC(=O)CCN=C(N(C)C)N(C)C.I.

What is the InChIKey of 3-[bis(dimethylamino)methylideneamino]-N-propan-2-ylpropanamide;hydroiodide?

The InChIKey is UXTDAJGKLNSIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O.HI/c1-9(2)13-10(16)7-8-12-11(14(3)4)15(5)6;/h9H,7-8H2,1-6H3,(H,13,16);1H.

What are the key properties of 3-[bis(dimethylamino)methylideneamino]-N-propan-2-ylpropanamide;hydroiodide?

3-[bis(dimethylamino)methylideneamino]-N-propan-2-ylpropanamide;hydroiodide has a molecular weight of 356.25 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[bis(dimethylamino)methylideneamino]-N-propan-2-ylpropanamide;hydroiodide is sourced from PubChem (CID 111043505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 111043505 — identifiers, structure, computed properties (public domain)

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