4-(4-ethylazepan-1-yl)-N'-hydroxybutanimidamide

C12H25N3O — CID 77024693

IUPAC4-(4-ethylazepan-1-yl)-N'-hydroxybutanimidamide
SMILESCCC1CCCN(CCCC(N)=NO)CC1
InChIInChI=1S/C12H25N3O/c1-2-11-5-3-8-15(10-7-11)9-4-6-12(13)14-16/h11,16H,2-10H2,1H3,(H2,13,14)
InChIKeyQKRKMGSMMXJFAR-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.03
Rot. Bonds5

About 4-(4-ethylazepan-1-yl)-N'-hydroxybutanimidamide

4-(4-ethylazepan-1-yl)-N'-hydroxybutanimidamide (PubChem CID 77024693) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-(4-ethylazepan-1-yl)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-(4-ethylazepan-1-yl)-N'-hydroxybutanimidamide
PubChem CID77024693
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name4-(4-ethylazepan-1-yl)-N'-hydroxybutanimidamide
SMILESCCC1CCCN(CCCC(N)=NO)CC1
InChIInChI=1S/C12H25N3O/c1-2-11-5-3-8-15(10-7-11)9-4-6-12(13)14-16/h11,16H,2-10H2,1H3,(H2,13,14)
InChIKeyQKRKMGSMMXJFAR-UHFFFAOYSA-N
XLogP2.03
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]butanimidamide
CID 106587066
4-(azocan-1-yl)-N'-hydroxybutanimidamide
CID 43211911
N'-hydroxy-4-(4-methylpiperazin-1-yl)butanimidamide
CID 24689656
N'-hydroxy-5-[4-(methoxymethyl)piperidin-1-yl]pentanimidamide
CID 63972125
N'-hydroxy-4-(4-piperidin-1-ylpiperidin-1-yl)butanimidamide
CID 61216300
N'-hydroxy-5-piperidin-1-ylpentanimidamide
CID 6015018
N'-hydroxy-3-(4-propylpiperidin-1-yl)propanimidamide
CID 76937108
5-(4-ethylazepan-1-yl)-2,2-dimethylpentanethioamide
CID 65259797
1-(9-bromononyl)-4-ethylazepane
CID 105343800
5-(4-benzylpiperidin-1-yl)-N'-hydroxypentanimidamide
CID 76905947
1,4-diethylazepane
CID 67522864
3-[4-[(3E)-3-amino-3-hydroxyiminopropyl]piperazin-1-yl]-N'-hydroxypropanimidamide
CID 87231403

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylazepan-1-yl)-N'-hydroxybutanimidamide?
The IUPAC name of 4-(4-ethylazepan-1-yl)-N'-hydroxybutanimidamide (CID 77024693) is 4-(4-ethylazepan-1-yl)-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-(4-ethylazepan-1-yl)-N'-hydroxybutanimidamide?
The canonical SMILES for 4-(4-ethylazepan-1-yl)-N'-hydroxybutanimidamide is CCC1CCCN(CCCC(N)=NO)CC1.
What is the InChIKey of 4-(4-ethylazepan-1-yl)-N'-hydroxybutanimidamide?
The InChIKey is QKRKMGSMMXJFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-2-11-5-3-8-15(10-7-11)9-4-6-12(13)14-16/h11,16H,2-10H2,1H3,(H2,13,14).
What are the key properties of 4-(4-ethylazepan-1-yl)-N'-hydroxybutanimidamide?
4-(4-ethylazepan-1-yl)-N'-hydroxybutanimidamide has a molecular weight of 227.35 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylazepan-1-yl)-N'-hydroxybutanimidamide is sourced from PubChem (CID 77024693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).