N-[dimethylamino-[2,2-dimethylpropyl(methyl)amino]methylidene]methanimidamide

C10H22N4 — CID 87279008

IUPACN-[dimethylamino-[2,2-dimethylpropyl(methyl)amino]methylidene]methanimidamide
SMILES[H]/N=C/N=C(\N(C)C)N(C)CC(C)(C)C
InChIInChI=1S/C10H22N4/c1-10(2,3)7-14(6)9(12-8-11)13(4)5/h8,11H,7H2,1-6H3/b11-8+,12-9+
InChIKeyALDXRVJBQJSQFH-HZOWPXDZSA-N
MW198.31 g/mol
LogP1.49
Rot. Bonds2

About N-[dimethylamino-[2,2-dimethylpropyl(methyl)amino]methylidene]methanimidamide

N-[dimethylamino-[2,2-dimethylpropyl(methyl)amino]methylidene]methanimidamide (PubChem CID 87279008) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is N-[dimethylamino-[2,2-dimethylpropyl(methyl)amino]methylidene]methanimidamide.

Molecular Properties

Compound NameN-[dimethylamino-[2,2-dimethylpropyl(methyl)amino]methylidene]methanimidamide
PubChem CID87279008
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC NameN-[dimethylamino-[2,2-dimethylpropyl(methyl)amino]methylidene]methanimidamide
SMILES[H]/N=C/N=C(\N(C)C)N(C)CC(C)(C)C
InChIInChI=1S/C10H22N4/c1-10(2,3)7-14(6)9(12-8-11)13(4)5/h8,11H,7H2,1-6H3/b11-8+,12-9+
InChIKeyALDXRVJBQJSQFH-HZOWPXDZSA-N
XLogP1.49
TPSA42.69 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[dimethylamino-[2,2-dimethylpropyl(methyl)amino]methylidene]methanimidamide?
The IUPAC name of N-[dimethylamino-[2,2-dimethylpropyl(methyl)amino]methylidene]methanimidamide (CID 87279008) is N-[dimethylamino-[2,2-dimethylpropyl(methyl)amino]methylidene]methanimidamide.
What is the SMILES notation for N-[dimethylamino-[2,2-dimethylpropyl(methyl)amino]methylidene]methanimidamide?
The canonical SMILES for N-[dimethylamino-[2,2-dimethylpropyl(methyl)amino]methylidene]methanimidamide is [H]/N=C/N=C(\N(C)C)N(C)CC(C)(C)C.
What is the InChIKey of N-[dimethylamino-[2,2-dimethylpropyl(methyl)amino]methylidene]methanimidamide?
The InChIKey is ALDXRVJBQJSQFH-HZOWPXDZSA-N. The full InChI is InChI=1S/C10H22N4/c1-10(2,3)7-14(6)9(12-8-11)13(4)5/h8,11H,7H2,1-6H3/b11-8+,12-9+.
What are the key properties of N-[dimethylamino-[2,2-dimethylpropyl(methyl)amino]methylidene]methanimidamide?
N-[dimethylamino-[2,2-dimethylpropyl(methyl)amino]methylidene]methanimidamide has a molecular weight of 198.31 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethylamino-[2,2-dimethylpropyl(methyl)amino]methylidene]methanimidamide is sourced from PubChem (CID 87279008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).