6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylhexanimidamide

C15H32N4O — CID 107223309

IUPAC6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCN1CCCN(CCO)CC1
InChIInChI=1S/C15H32N4O/c1-15(2,14(16)17)6-3-4-7-18-8-5-9-19(11-10-18)12-13-20/h20H,3-13H2,1-2H3,(H3,16,17)
InChIKeySMYIPZYYALARBG-UHFFFAOYSA-N
MW284.45 g/mol
LogP1.12
Rot. Bonds8

About 6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylhexanimidamide

6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylhexanimidamide (PubChem CID 107223309) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is 6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylhexanimidamide
PubChem CID107223309
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC Name6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCN1CCCN(CCO)CC1
InChIInChI=1S/C15H32N4O/c1-15(2,14(16)17)6-3-4-7-18-8-5-9-19(11-10-18)12-13-20/h20H,3-13H2,1-2H3,(H3,16,17)
InChIKeySMYIPZYYALARBG-UHFFFAOYSA-N
XLogP1.12
TPSA76.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylhexanimidamide 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

5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanimidamide
CID 65258244
2,2-dimethyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanimidamide
CID 65258334
5-[4-(dimethylamino)piperidin-1-yl]-2,2-dimethylpentanimidamide
CID 65258912
5-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide
CID 112625805
6-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylhexanimidamide
CID 106712150
2-(4-octyl-1,4-diazepan-1-yl)ethanol
CID 63309782
5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide
CID 65257995
6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2,2-dimethylhexanimidamide
CID 106712234
2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanimidamide
CID 65252553
2,2-dimethyloctanimidamide
CID 58158153
6-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylhexanimidamide
CID 106711929
4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide
CID 81097525

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylhexanimidamide?
The IUPAC name of 6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylhexanimidamide (CID 107223309) is 6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylhexanimidamide is [H]/N=C(\N)C(C)(C)CCCCN1CCCN(CCO)CC1.
What is the InChIKey of 6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylhexanimidamide?
The InChIKey is SMYIPZYYALARBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O/c1-15(2,14(16)17)6-3-4-7-18-8-5-9-19(11-10-18)12-13-20/h20H,3-13H2,1-2H3,(H3,16,17).
What are the key properties of 6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylhexanimidamide?
6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylhexanimidamide has a molecular weight of 284.45 g/mol, XLogP of 1.12, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylhexanimidamide is sourced from PubChem (CID 107223309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).