4-(4-ethylazepan-1-yl)-2,2-dimethylbutanimidamide

C14H29N3 — CID 65252356

IUPAC4-(4-ethylazepan-1-yl)-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN1CCCC(CC)CC1
InChIInChI=1S/C14H29N3/c1-4-12-6-5-9-17(10-7-12)11-8-14(2,3)13(15)16/h12H,4-11H2,1-3H3,(H3,15,16)
InChIKeyLOYOQTIEMKZWCL-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.85
Rot. Bonds5

About 4-(4-ethylazepan-1-yl)-2,2-dimethylbutanimidamide

4-(4-ethylazepan-1-yl)-2,2-dimethylbutanimidamide (PubChem CID 65252356) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 4-(4-ethylazepan-1-yl)-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-(4-ethylazepan-1-yl)-2,2-dimethylbutanimidamide
PubChem CID65252356
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name4-(4-ethylazepan-1-yl)-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN1CCCC(CC)CC1
InChIInChI=1S/C14H29N3/c1-4-12-6-5-9-17(10-7-12)11-8-14(2,3)13(15)16/h12H,4-11H2,1-3H3,(H3,15,16)
InChIKeyLOYOQTIEMKZWCL-UHFFFAOYSA-N
XLogP2.85
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-ethylazepan-1-yl)-2,2-dimethylbutanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylazepan-1-yl)-2,2-dimethylbutanimidamide?
The IUPAC name of 4-(4-ethylazepan-1-yl)-2,2-dimethylbutanimidamide (CID 65252356) is 4-(4-ethylazepan-1-yl)-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-(4-ethylazepan-1-yl)-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-(4-ethylazepan-1-yl)-2,2-dimethylbutanimidamide is [H]/N=C(\N)C(C)(C)CCN1CCCC(CC)CC1.
What is the InChIKey of 4-(4-ethylazepan-1-yl)-2,2-dimethylbutanimidamide?
The InChIKey is LOYOQTIEMKZWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-4-12-6-5-9-17(10-7-12)11-8-14(2,3)13(15)16/h12H,4-11H2,1-3H3,(H3,15,16).
What are the key properties of 4-(4-ethylazepan-1-yl)-2,2-dimethylbutanimidamide?
4-(4-ethylazepan-1-yl)-2,2-dimethylbutanimidamide has a molecular weight of 239.41 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylazepan-1-yl)-2,2-dimethylbutanimidamide is sourced from PubChem (CID 65252356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).