N'-(5-hydroxypentyl)-N,N-dimethylmethanimidamide

C8H18N2O — CID 10820850

IUPACN'-(5-hydroxypentyl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/CCCCCO
InChIInChI=1S/C8H18N2O/c1-10(2)8-9-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3/b9-8+
InChIKeyGRPVPZZOJGJDDN-CMDGGOBGSA-N
MW158.25 g/mol
LogP0.74
Rot. Bonds6

About N'-(5-hydroxypentyl)-N,N-dimethylmethanimidamide

N'-(5-hydroxypentyl)-N,N-dimethylmethanimidamide (PubChem CID 10820850) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is N'-(5-hydroxypentyl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(5-hydroxypentyl)-N,N-dimethylmethanimidamide
PubChem CID10820850
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC NameN'-(5-hydroxypentyl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/CCCCCO
InChIInChI=1S/C8H18N2O/c1-10(2)8-9-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3/b9-8+
InChIKeyGRPVPZZOJGJDDN-CMDGGOBGSA-N
XLogP0.74
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.74
H-Bond Donors ≤ 51
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'}

Analyze N'-(5-hydroxypentyl)-N,N-dimethylmethanimidamide 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

6-[[4-(6-hydroxyhexyliminomethyl)phenyl]methylideneamino]hexan-1-ol
CID 59344390
hexane-1,6-diol;octane-1,8-diol
CID 21202869
pentadecane-1,15-diol
CID 518994
tricosane-1,23-diol
CID 25144332
trioctacontane-1,83-diol
CID 87526146
heptane-1,7-diol;nonane-1,9-diol
CID 174499055
dodecane-1,12-diol;tridecane-1,13-diol
CID 87338508
tris(docosane-1,22-diol);octakis(heptadecane-1,17-diol)
CID 159258975
5-(dimethylamino)pent-4-en-1-ol
CID 123150566
8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
CID 19982345
hexane-1,6-diol;hydroiodide
CID 175146639
CID 158555375
CID 158555375

Frequently Asked Questions

What is the IUPAC name of N'-(5-hydroxypentyl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(5-hydroxypentyl)-N,N-dimethylmethanimidamide (CID 10820850) is N'-(5-hydroxypentyl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(5-hydroxypentyl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(5-hydroxypentyl)-N,N-dimethylmethanimidamide is CN(C)/C=N/CCCCCO.
What is the InChIKey of N'-(5-hydroxypentyl)-N,N-dimethylmethanimidamide?
The InChIKey is GRPVPZZOJGJDDN-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H18N2O/c1-10(2)8-9-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3/b9-8+.
What are the key properties of N'-(5-hydroxypentyl)-N,N-dimethylmethanimidamide?
N'-(5-hydroxypentyl)-N,N-dimethylmethanimidamide has a molecular weight of 158.25 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-hydroxypentyl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 10820850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).