N,N-dimethyl-N'-propylmethanimidamide

C6H14N2 — CID 523864

IUPACN,N-dimethyl-N'-propylmethanimidamide
SMILESCCC/N=C/N(C)C
InChIInChI=1S/C6H14N2/c1-4-5-7-6-8(2)3/h6H,4-5H2,1-3H3/b7-6+
InChIKeyPWLJQPKTYTWNRJ-VOTSOKGWSA-N
MW114.19 g/mol
LogP0.99
Rot. Bonds3

About N,N-dimethyl-N'-propylmethanimidamide

N,N-dimethyl-N'-propylmethanimidamide (PubChem CID 523864) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is N,N-dimethyl-N'-propylmethanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-propylmethanimidamide
PubChem CID523864
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC NameN,N-dimethyl-N'-propylmethanimidamide
SMILESCCC/N=C/N(C)C
InChIInChI=1S/C6H14N2/c1-4-5-7-6-8(2)3/h6H,4-5H2,1-3H3/b7-6+
InChIKeyPWLJQPKTYTWNRJ-VOTSOKGWSA-N
XLogP0.99
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-N'-propylmethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-propylmethanimidamide?
The IUPAC name of N,N-dimethyl-N'-propylmethanimidamide (CID 523864) is N,N-dimethyl-N'-propylmethanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-propylmethanimidamide?
The canonical SMILES for N,N-dimethyl-N'-propylmethanimidamide is CCC/N=C/N(C)C.
What is the InChIKey of N,N-dimethyl-N'-propylmethanimidamide?
The InChIKey is PWLJQPKTYTWNRJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H14N2/c1-4-5-7-6-8(2)3/h6H,4-5H2,1-3H3/b7-6+.
What are the key properties of N,N-dimethyl-N'-propylmethanimidamide?
N,N-dimethyl-N'-propylmethanimidamide has a molecular weight of 114.19 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-propylmethanimidamide is sourced from PubChem (CID 523864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).