N'-[3-(dimethylamino)propyl]-N,N-dimethylmethanimidamide

C8H19N3 — CID 6432093

IUPACN'-[3-(dimethylamino)propyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/CCCN(C)C
InChIInChI=1S/C8H19N3/c1-10(2)7-5-6-9-8-11(3)4/h8H,5-7H2,1-4H3/b9-8+
InChIKeyHCQHTPHOWFJCLC-CMDGGOBGSA-N
MW157.26 g/mol
LogP0.53
Rot. Bonds5

About N'-[3-(dimethylamino)propyl]-N,N-dimethylmethanimidamide

N'-[3-(dimethylamino)propyl]-N,N-dimethylmethanimidamide (PubChem CID 6432093) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is N'-[3-(dimethylamino)propyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[3-(dimethylamino)propyl]-N,N-dimethylmethanimidamide
PubChem CID6432093
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC NameN'-[3-(dimethylamino)propyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/CCCN(C)C
InChIInChI=1S/C8H19N3/c1-10(2)7-5-6-9-8-11(3)4/h8H,5-7H2,1-4H3/b9-8+
InChIKeyHCQHTPHOWFJCLC-CMDGGOBGSA-N
XLogP0.53
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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,N-dimethylmethanimidamide?
The IUPAC name of N'-[3-(dimethylamino)propyl]-N,N-dimethylmethanimidamide (CID 6432093) is N'-[3-(dimethylamino)propyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[3-(dimethylamino)propyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[3-(dimethylamino)propyl]-N,N-dimethylmethanimidamide is CN(C)/C=N/CCCN(C)C.
What is the InChIKey of N'-[3-(dimethylamino)propyl]-N,N-dimethylmethanimidamide?
The InChIKey is HCQHTPHOWFJCLC-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H19N3/c1-10(2)7-5-6-9-8-11(3)4/h8H,5-7H2,1-4H3/b9-8+.
What are the key properties of N'-[3-(dimethylamino)propyl]-N,N-dimethylmethanimidamide?
N'-[3-(dimethylamino)propyl]-N,N-dimethylmethanimidamide has a molecular weight of 157.26 g/mol, XLogP of 0.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(dimethylamino)propyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 6432093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).