4-(4-methylazepan-1-yl)butanimidamide

C11H23N3 — CID 63624448

IUPAC4-(4-methylazepan-1-yl)butanimidamide
SMILES[H]/N=C(\N)CCCN1CCCC(C)CC1
InChIInChI=1S/C11H23N3/c1-10-4-2-7-14(9-6-10)8-3-5-11(12)13/h10H,2-9H2,1H3,(H3,12,13)
InChIKeyGRSHXUIIQNWNTE-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.82
Rot. Bonds4

About 4-(4-methylazepan-1-yl)butanimidamide

4-(4-methylazepan-1-yl)butanimidamide (PubChem CID 63624448) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 4-(4-methylazepan-1-yl)butanimidamide.

Molecular Properties

Compound Name4-(4-methylazepan-1-yl)butanimidamide
PubChem CID63624448
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name4-(4-methylazepan-1-yl)butanimidamide
SMILES[H]/N=C(\N)CCCN1CCCC(C)CC1
InChIInChI=1S/C11H23N3/c1-10-4-2-7-14(9-6-10)8-3-5-11(12)13/h10H,2-9H2,1H3,(H3,12,13)
InChIKeyGRSHXUIIQNWNTE-UHFFFAOYSA-N
XLogP1.82
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.82
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylazepan-1-yl)butanimidamide?
The IUPAC name of 4-(4-methylazepan-1-yl)butanimidamide (CID 63624448) is 4-(4-methylazepan-1-yl)butanimidamide.
What is the SMILES notation for 4-(4-methylazepan-1-yl)butanimidamide?
The canonical SMILES for 4-(4-methylazepan-1-yl)butanimidamide is [H]/N=C(\N)CCCN1CCCC(C)CC1.
What is the InChIKey of 4-(4-methylazepan-1-yl)butanimidamide?
The InChIKey is GRSHXUIIQNWNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-10-4-2-7-14(9-6-10)8-3-5-11(12)13/h10H,2-9H2,1H3,(H3,12,13).
What are the key properties of 4-(4-methylazepan-1-yl)butanimidamide?
4-(4-methylazepan-1-yl)butanimidamide has a molecular weight of 197.33 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylazepan-1-yl)butanimidamide is sourced from PubChem (CID 63624448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).