N-[1-(dimethylamino)-2-(methylamino)ethyl]-N'-methylmethanimidamide

C7H18N4 — CID 142202873

IUPACN-[1-(dimethylamino)-2-(methylamino)ethyl]-N'-methylmethanimidamide
SMILESC/N=C/NC(CNC)N(C)C
InChIInChI=1S/C7H18N4/c1-8-5-7(11(3)4)10-6-9-2/h6-8H,5H2,1-4H3,(H,9,10)
InChIKeyOEJVVLMVWUGZJD-UHFFFAOYSA-N
MW158.25 g/mol
LogP-0.66
Rot. Bonds5

About N-[1-(dimethylamino)-2-(methylamino)ethyl]-N'-methylmethanimidamide

N-[1-(dimethylamino)-2-(methylamino)ethyl]-N'-methylmethanimidamide (PubChem CID 142202873) has the molecular formula C7H18N4 and a molecular weight of 158.25 g/mol. Its IUPAC name is N-[1-(dimethylamino)-2-(methylamino)ethyl]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-2-(methylamino)ethyl]-N'-methylmethanimidamide
PubChem CID142202873
Molecular FormulaC7H18N4
Molecular Weight158.25 g/mol
Exact Mass158.15
IUPAC NameN-[1-(dimethylamino)-2-(methylamino)ethyl]-N'-methylmethanimidamide
SMILESC/N=C/NC(CNC)N(C)C
InChIInChI=1S/C7H18N4/c1-8-5-7(11(3)4)10-6-9-2/h6-8H,5H2,1-4H3,(H,9,10)
InChIKeyOEJVVLMVWUGZJD-UHFFFAOYSA-N
XLogP-0.66
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[1-(dimethylamino)-2-(methylamino)ethyl]-N'-methylmethanimidamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(1-iodoethyl)-N'-methylmethanimidamide
CID 163628896
N'-methyl-N-pentan-3-ylmethanimidamide
CID 146960213
N-[[[dimethylamino(ethylsulfanyl)methyl]amino]methyl]-N'-methylmethanimidamide
CID 123494037
N-[4-[ethyl(methyl)amino]butan-2-yl]-N'-methylmethanimidamide
CID 139506562
(2R)-N-methyl-2-phosphanylpropan-1-amine
CID 171624131
N'-methyl-N-[2-(methylamino)ethyl]methanimidamide
CID 142151243
cyclopentane;1-N,1-N,1-N',1-N',2-N-pentamethylethane-1,1,2-triamine
CID 162293732
1-N,2-N,3-N,3-N-tetramethylbutane-1,2,3-triamine
CID 166769327
(2R,3S)-3-(dimethylamino)-1-(methylamino)butan-2-ol
CID 54087327
(3R)-3-(dimethylamino)-1-(methylamino)butan-2-ol
CID 59946423
potassium;N,N'-dimethylmethanimidamide;hydride
CID 173129967
N'-methyl-N-(methylamino)methanimidamide
CID 91075013

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-2-(methylamino)ethyl]-N'-methylmethanimidamide?
The IUPAC name of N-[1-(dimethylamino)-2-(methylamino)ethyl]-N'-methylmethanimidamide (CID 142202873) is N-[1-(dimethylamino)-2-(methylamino)ethyl]-N'-methylmethanimidamide.
What is the SMILES notation for N-[1-(dimethylamino)-2-(methylamino)ethyl]-N'-methylmethanimidamide?
The canonical SMILES for N-[1-(dimethylamino)-2-(methylamino)ethyl]-N'-methylmethanimidamide is C/N=C/NC(CNC)N(C)C.
What is the InChIKey of N-[1-(dimethylamino)-2-(methylamino)ethyl]-N'-methylmethanimidamide?
The InChIKey is OEJVVLMVWUGZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4/c1-8-5-7(11(3)4)10-6-9-2/h6-8H,5H2,1-4H3,(H,9,10).
What are the key properties of N-[1-(dimethylamino)-2-(methylamino)ethyl]-N'-methylmethanimidamide?
N-[1-(dimethylamino)-2-(methylamino)ethyl]-N'-methylmethanimidamide has a molecular weight of 158.25 g/mol, XLogP of -0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-2-(methylamino)ethyl]-N'-methylmethanimidamide is sourced from PubChem (CID 142202873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).