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

C11H24N4O — CID 107223300

IUPAC4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]butanimidamide
SMILES[H]/N=C(\N)CCCN1CCCN(CCO)CC1
InChIInChI=1S/C11H24N4O/c12-11(13)3-1-4-14-5-2-6-15(8-7-14)9-10-16/h16H,1-10H2,(H3,12,13)
InChIKeyDLAKMNDCSPRYBF-UHFFFAOYSA-N
MW228.34 g/mol
LogP-0.30
Rot. Bonds6

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

4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]butanimidamide (PubChem CID 107223300) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]butanimidamide.

Molecular Properties

Compound Name4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]butanimidamide
PubChem CID107223300
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]butanimidamide
SMILES[H]/N=C(\N)CCCN1CCCN(CCO)CC1
InChIInChI=1S/C11H24N4O/c12-11(13)3-1-4-14-5-2-6-15(8-7-14)9-10-16/h16H,1-10H2,(H3,12,13)
InChIKeyDLAKMNDCSPRYBF-UHFFFAOYSA-N
XLogP-0.30
TPSA76.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3,3,3-Trifluoro-2-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]propanimidamide
CID 107223319
3-[4-(2-Hydroxyethyl)piperazin-1-yl]propanimidamide
CID 28811977
4-[4-(2-Hydroxyethyl)piperazin-1-yl]butanimidamide
CID 43592132
2-[Butyl(2-hydroxyethyl)amino]ethanimidamide
CID 61445879
3-[Butyl(2-hydroxyethyl)amino]propanimidamide
CID 61445880
3-[4-(2-Hydroxyethyl)piperazin-1-yl]propanimidamide;hydrochloride
CID 82021481
N'-hydroxy-3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanimidamide
CID 107223242
N'-hydroxy-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanimidamide
CID 107223244
N'-hydroxy-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanimidamide
CID 107223252
N'-hydroxy-3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-methylpropanimidamide
CID 107223253
N'-hydroxy-5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pentanimidamide
CID 107223254
N'-hydroxy-4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]butanimidamide
CID 107223255

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]butanimidamide?
The IUPAC name of 4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]butanimidamide (CID 107223300) is 4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]butanimidamide.
What is the SMILES notation for 4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]butanimidamide?
The canonical SMILES for 4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]butanimidamide is [H]/N=C(\N)CCCN1CCCN(CCO)CC1.
What is the InChIKey of 4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]butanimidamide?
The InChIKey is DLAKMNDCSPRYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c12-11(13)3-1-4-14-5-2-6-15(8-7-14)9-10-16/h16H,1-10H2,(H3,12,13).
What are the key properties of 4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]butanimidamide?
4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]butanimidamide has a molecular weight of 228.34 g/mol, XLogP of -0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]butanimidamide is sourced from PubChem (CID 107223300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).