N-[3-(dimethylamino)propyl]-N,2,2-trimethylpropanimidamide

C11H25N3 — CID 63726393

IUPACN-[3-(dimethylamino)propyl]-N,2,2-trimethylpropanimidamide
SMILES[H]/N=C(\N(C)CCCN(C)C)C(C)(C)C
InChIInChI=1S/C11H25N3/c1-11(2,3)10(12)14(6)9-7-8-13(4)5/h12H,7-9H2,1-6H3/b12-10-
InChIKeyAQITVXQRATXVKH-BENRWUELSA-N
MW199.34 g/mol
LogP1.89
Rot. Bonds4

About N-[3-(dimethylamino)propyl]-N,2,2-trimethylpropanimidamide

N-[3-(dimethylamino)propyl]-N,2,2-trimethylpropanimidamide (PubChem CID 63726393) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N,2,2-trimethylpropanimidamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N,2,2-trimethylpropanimidamide
PubChem CID63726393
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC NameN-[3-(dimethylamino)propyl]-N,2,2-trimethylpropanimidamide
SMILES[H]/N=C(\N(C)CCCN(C)C)C(C)(C)C
InChIInChI=1S/C11H25N3/c1-11(2,3)10(12)14(6)9-7-8-13(4)5/h12H,7-9H2,1-6H3/b12-10-
InChIKeyAQITVXQRATXVKH-BENRWUELSA-N
XLogP1.89
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N,2,2-trimethylpropanimidamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N,2,2-trimethylpropanimidamide (CID 63726393) is N-[3-(dimethylamino)propyl]-N,2,2-trimethylpropanimidamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N,2,2-trimethylpropanimidamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N,2,2-trimethylpropanimidamide is [H]/N=C(\N(C)CCCN(C)C)C(C)(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N,2,2-trimethylpropanimidamide?
The InChIKey is AQITVXQRATXVKH-BENRWUELSA-N. The full InChI is InChI=1S/C11H25N3/c1-11(2,3)10(12)14(6)9-7-8-13(4)5/h12H,7-9H2,1-6H3/b12-10-.
What are the key properties of N-[3-(dimethylamino)propyl]-N,2,2-trimethylpropanimidamide?
N-[3-(dimethylamino)propyl]-N,2,2-trimethylpropanimidamide has a molecular weight of 199.34 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N,2,2-trimethylpropanimidamide is sourced from PubChem (CID 63726393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).