2,2-dimethyl-5-(4-methylazepan-1-yl)pentanimidamide

C14H29N3 — CID 65258386

IUPAC2,2-dimethyl-5-(4-methylazepan-1-yl)pentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN1CCCC(C)CC1
InChIInChI=1S/C14H29N3/c1-12-6-4-9-17(11-7-12)10-5-8-14(2,3)13(15)16/h12H,4-11H2,1-3H3,(H3,15,16)
InChIKeyMUBZBNKBKHYKNG-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.85
Rot. Bonds5

About 2,2-dimethyl-5-(4-methylazepan-1-yl)pentanimidamide

2,2-dimethyl-5-(4-methylazepan-1-yl)pentanimidamide (PubChem CID 65258386) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2,2-dimethyl-5-(4-methylazepan-1-yl)pentanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-5-(4-methylazepan-1-yl)pentanimidamide
PubChem CID65258386
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name2,2-dimethyl-5-(4-methylazepan-1-yl)pentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN1CCCC(C)CC1
InChIInChI=1S/C14H29N3/c1-12-6-4-9-17(11-7-12)10-5-8-14(2,3)13(15)16/h12H,4-11H2,1-3H3,(H3,15,16)
InChIKeyMUBZBNKBKHYKNG-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'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(4-methylazepan-1-yl)pentanimidamide?
The IUPAC name of 2,2-dimethyl-5-(4-methylazepan-1-yl)pentanimidamide (CID 65258386) is 2,2-dimethyl-5-(4-methylazepan-1-yl)pentanimidamide.
What is the SMILES notation for 2,2-dimethyl-5-(4-methylazepan-1-yl)pentanimidamide?
The canonical SMILES for 2,2-dimethyl-5-(4-methylazepan-1-yl)pentanimidamide is [H]/N=C(\N)C(C)(C)CCCN1CCCC(C)CC1.
What is the InChIKey of 2,2-dimethyl-5-(4-methylazepan-1-yl)pentanimidamide?
The InChIKey is MUBZBNKBKHYKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-12-6-4-9-17(11-7-12)10-5-8-14(2,3)13(15)16/h12H,4-11H2,1-3H3,(H3,15,16).
What are the key properties of 2,2-dimethyl-5-(4-methylazepan-1-yl)pentanimidamide?
2,2-dimethyl-5-(4-methylazepan-1-yl)pentanimidamide 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 2,2-dimethyl-5-(4-methylazepan-1-yl)pentanimidamide is sourced from PubChem (CID 65258386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).