N'-hydroxy-5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylpentanimidamide

C14H30N4O2 — CID 107223256

IUPACN'-hydroxy-5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylpentanimidamide
SMILESCC(C)(CCCN1CCCN(CCO)CC1)C(N)=NO
InChIInChI=1S/C14H30N4O2/c1-14(2,13(15)16-20)5-3-6-17-7-4-8-18(10-9-17)11-12-19/h19-20H,3-12H2,1-2H3,(H2,15,16)
InChIKeyYMQXWVIHWVNPON-UHFFFAOYSA-N
MW286.42 g/mol
LogP0.54
Rot. Bonds7

About N'-hydroxy-5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylpentanimidamide

N'-hydroxy-5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylpentanimidamide (PubChem CID 107223256) has the molecular formula C14H30N4O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is N'-hydroxy-5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylpentanimidamide
PubChem CID107223256
Molecular FormulaC14H30N4O2
Molecular Weight286.42 g/mol
Exact Mass286.24
IUPAC NameN'-hydroxy-5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylpentanimidamide
SMILESCC(C)(CCCN1CCCN(CCO)CC1)C(N)=NO
InChIInChI=1S/C14H30N4O2/c1-14(2,13(15)16-20)5-3-6-17-7-4-8-18(10-9-17)11-12-19/h19-20H,3-12H2,1-2H3,(H2,15,16)
InChIKeyYMQXWVIHWVNPON-UHFFFAOYSA-N
XLogP0.54
TPSA85.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylpentanimidamide 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'-hydroxy-5-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethylpentanimidamide
CID 77063619
N'-hydroxy-5-[2-hydroxyethyl(pentan-3-yl)amino]-2,2-dimethylpentanimidamide
CID 77063664
N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]-2,2-dimethylpentanimidamide
CID 77063745
N'-hydroxy-5-[2-hydroxypropyl(methyl)amino]-2,2-dimethylpentanimidamide
CID 77063752
N'-hydroxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpentanimidamide
CID 77063865
N'-hydroxy-5-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpentanimidamide
CID 77064023
5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064024
5-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064028
5-[bis(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064109
N'-hydroxy-5-[2-hydroxyethyl(2-methoxyethyl)amino]-2,2-dimethylpentanimidamide
CID 104861635
N'-hydroxy-6-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylhexanimidamide
CID 106710749
N'-hydroxy-6-[2-hydroxyethyl(methyl)amino]-2,2-dimethylhexanimidamide
CID 106710758

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylpentanimidamide?
The IUPAC name of N'-hydroxy-5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylpentanimidamide (CID 107223256) is N'-hydroxy-5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylpentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylpentanimidamide?
The canonical SMILES for N'-hydroxy-5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylpentanimidamide is CC(C)(CCCN1CCCN(CCO)CC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylpentanimidamide?
The InChIKey is YMQXWVIHWVNPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O2/c1-14(2,13(15)16-20)5-3-6-17-7-4-8-18(10-9-17)11-12-19/h19-20H,3-12H2,1-2H3,(H2,15,16).
What are the key properties of N'-hydroxy-5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylpentanimidamide?
N'-hydroxy-5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylpentanimidamide has a molecular weight of 286.42 g/mol, XLogP of 0.54, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylpentanimidamide is sourced from PubChem (CID 107223256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).