3,5,7-trimethyladamantane-1-carboximidamide;hydrochloride

C14H25ClN2 — CID 18373599

IUPAC3,5,7-trimethyladamantane-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C12CC3(C)CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C14H24N2.ClH/c1-11-4-12(2)6-13(3,5-11)9-14(7-11,8-12)10(15)16;/h4-9H2,1-3H3,(H3,15,16);1H
InChIKeyBWMOQSPTAVHWAD-UHFFFAOYSA-N
MW256.82 g/mol
LogP3.73
Rot. Bonds1

About 3,5,7-trimethyladamantane-1-carboximidamide;hydrochloride

3,5,7-trimethyladamantane-1-carboximidamide;hydrochloride (PubChem CID 18373599) has the molecular formula C14H25ClN2 and a molecular weight of 256.82 g/mol. Its IUPAC name is 3,5,7-trimethyladamantane-1-carboximidamide;hydrochloride.

Molecular Properties

Compound Name3,5,7-trimethyladamantane-1-carboximidamide;hydrochloride
PubChem CID18373599
Molecular FormulaC14H25ClN2
Molecular Weight256.82 g/mol
Exact Mass256.17
IUPAC Name3,5,7-trimethyladamantane-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C12CC3(C)CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C14H24N2.ClH/c1-11-4-12(2)6-13(3,5-11)9-14(7-11,8-12)10(15)16;/h4-9H2,1-3H3,(H3,15,16);1H
InChIKeyBWMOQSPTAVHWAD-UHFFFAOYSA-N
XLogP3.73
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.82
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 3,5,7-trimethyladamantane-1-carboximidamide;hydrochloride?
The IUPAC name of 3,5,7-trimethyladamantane-1-carboximidamide;hydrochloride (CID 18373599) is 3,5,7-trimethyladamantane-1-carboximidamide;hydrochloride.
What is the SMILES notation for 3,5,7-trimethyladamantane-1-carboximidamide;hydrochloride?
The canonical SMILES for 3,5,7-trimethyladamantane-1-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)C12CC3(C)CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of 3,5,7-trimethyladamantane-1-carboximidamide;hydrochloride?
The InChIKey is BWMOQSPTAVHWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2.ClH/c1-11-4-12(2)6-13(3,5-11)9-14(7-11,8-12)10(15)16;/h4-9H2,1-3H3,(H3,15,16);1H.
What are the key properties of 3,5,7-trimethyladamantane-1-carboximidamide;hydrochloride?
3,5,7-trimethyladamantane-1-carboximidamide;hydrochloride has a molecular weight of 256.82 g/mol, XLogP of 3.73, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trimethyladamantane-1-carboximidamide;hydrochloride is sourced from PubChem (CID 18373599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).