5-(4,4-dimethylazepan-1-yl)-2,2-dimethylpentanimidamide

C15H31N3 — CID 65280903

IUPAC5-(4,4-dimethylazepan-1-yl)-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN1CCCC(C)(C)CC1
InChIInChI=1S/C15H31N3/c1-14(2)7-5-10-18(12-9-14)11-6-8-15(3,4)13(16)17/h5-12H2,1-4H3,(H3,16,17)
InChIKeyDAJNNQQKFLBPLL-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.24
Rot. Bonds5

About 5-(4,4-dimethylazepan-1-yl)-2,2-dimethylpentanimidamide

5-(4,4-dimethylazepan-1-yl)-2,2-dimethylpentanimidamide (PubChem CID 65280903) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 5-(4,4-dimethylazepan-1-yl)-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(4,4-dimethylazepan-1-yl)-2,2-dimethylpentanimidamide
PubChem CID65280903
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name5-(4,4-dimethylazepan-1-yl)-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN1CCCC(C)(C)CC1
InChIInChI=1S/C15H31N3/c1-14(2)7-5-10-18(12-9-14)11-6-8-15(3,4)13(16)17/h5-12H2,1-4H3,(H3,16,17)
InChIKeyDAJNNQQKFLBPLL-UHFFFAOYSA-N
XLogP3.24
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.24
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 5-(4,4-dimethylazepan-1-yl)-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(4,4-dimethylazepan-1-yl)-2,2-dimethylpentanimidamide (CID 65280903) is 5-(4,4-dimethylazepan-1-yl)-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(4,4-dimethylazepan-1-yl)-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(4,4-dimethylazepan-1-yl)-2,2-dimethylpentanimidamide is [H]/N=C(\N)C(C)(C)CCCN1CCCC(C)(C)CC1.
What is the InChIKey of 5-(4,4-dimethylazepan-1-yl)-2,2-dimethylpentanimidamide?
The InChIKey is DAJNNQQKFLBPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-14(2)7-5-10-18(12-9-14)11-6-8-15(3,4)13(16)17/h5-12H2,1-4H3,(H3,16,17).
What are the key properties of 5-(4,4-dimethylazepan-1-yl)-2,2-dimethylpentanimidamide?
5-(4,4-dimethylazepan-1-yl)-2,2-dimethylpentanimidamide has a molecular weight of 253.43 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethylazepan-1-yl)-2,2-dimethylpentanimidamide is sourced from PubChem (CID 65280903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).