5-(4-methylazepan-1-yl)pentanimidamide

C12H25N3 — CID 63622057

IUPAC5-(4-methylazepan-1-yl)pentanimidamide
SMILES[H]/N=C(\N)CCCCN1CCCC(C)CC1
InChIInChI=1S/C12H25N3/c1-11-5-4-9-15(10-7-11)8-3-2-6-12(13)14/h11H,2-10H2,1H3,(H3,13,14)
InChIKeyOSLKRQMSSLLYFH-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.21
Rot. Bonds5

About 5-(4-methylazepan-1-yl)pentanimidamide

5-(4-methylazepan-1-yl)pentanimidamide (PubChem CID 63622057) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 5-(4-methylazepan-1-yl)pentanimidamide.

Molecular Properties

Compound Name5-(4-methylazepan-1-yl)pentanimidamide
PubChem CID63622057
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name5-(4-methylazepan-1-yl)pentanimidamide
SMILES[H]/N=C(\N)CCCCN1CCCC(C)CC1
InChIInChI=1S/C12H25N3/c1-11-5-4-9-15(10-7-11)8-3-2-6-12(13)14/h11H,2-10H2,1H3,(H3,13,14)
InChIKeyOSLKRQMSSLLYFH-UHFFFAOYSA-N
XLogP2.21
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylazepan-1-yl)pentanimidamide?
The IUPAC name of 5-(4-methylazepan-1-yl)pentanimidamide (CID 63622057) is 5-(4-methylazepan-1-yl)pentanimidamide.
What is the SMILES notation for 5-(4-methylazepan-1-yl)pentanimidamide?
The canonical SMILES for 5-(4-methylazepan-1-yl)pentanimidamide is [H]/N=C(\N)CCCCN1CCCC(C)CC1.
What is the InChIKey of 5-(4-methylazepan-1-yl)pentanimidamide?
The InChIKey is OSLKRQMSSLLYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-11-5-4-9-15(10-7-11)8-3-2-6-12(13)14/h11H,2-10H2,1H3,(H3,13,14).
What are the key properties of 5-(4-methylazepan-1-yl)pentanimidamide?
5-(4-methylazepan-1-yl)pentanimidamide has a molecular weight of 211.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylazepan-1-yl)pentanimidamide is sourced from PubChem (CID 63622057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).