(2,5-dimethyl-3-bicyclo[5.3.1]undecanyl)methyl carbamimidate

C15H28N2O — CID 143332958

IUPAC(2,5-dimethyl-3-bicyclo[5.3.1]undecanyl)methyl carbamimidate
SMILES[H]/N=C(\N)OCC1CC(C)CC2CCCC(C2)C1C
InChIInChI=1S/C15H28N2O/c1-10-6-12-4-3-5-13(8-12)11(2)14(7-10)9-18-15(16)17/h10-14H,3-9H2,1-2H3,(H3,16,17)
InChIKeyIAVHMQQNOWABEI-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.39
Rot. Bonds2

About (2,5-dimethyl-3-bicyclo[5.3.1]undecanyl)methyl carbamimidate

(2,5-dimethyl-3-bicyclo[5.3.1]undecanyl)methyl carbamimidate (PubChem CID 143332958) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is (2,5-dimethyl-3-bicyclo[5.3.1]undecanyl)methyl carbamimidate.

Molecular Properties

Compound Name(2,5-dimethyl-3-bicyclo[5.3.1]undecanyl)methyl carbamimidate
PubChem CID143332958
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name(2,5-dimethyl-3-bicyclo[5.3.1]undecanyl)methyl carbamimidate
SMILES[H]/N=C(\N)OCC1CC(C)CC2CCCC(C2)C1C
InChIInChI=1S/C15H28N2O/c1-10-6-12-4-3-5-13(8-12)11(2)14(7-10)9-18-15(16)17/h10-14H,3-9H2,1-2H3,(H3,16,17)
InChIKeyIAVHMQQNOWABEI-UHFFFAOYSA-N
XLogP3.39
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.39
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 (2,5-dimethyl-3-bicyclo[5.3.1]undecanyl)methyl carbamimidate?
The IUPAC name of (2,5-dimethyl-3-bicyclo[5.3.1]undecanyl)methyl carbamimidate (CID 143332958) is (2,5-dimethyl-3-bicyclo[5.3.1]undecanyl)methyl carbamimidate.
What is the SMILES notation for (2,5-dimethyl-3-bicyclo[5.3.1]undecanyl)methyl carbamimidate?
The canonical SMILES for (2,5-dimethyl-3-bicyclo[5.3.1]undecanyl)methyl carbamimidate is [H]/N=C(\N)OCC1CC(C)CC2CCCC(C2)C1C.
What is the InChIKey of (2,5-dimethyl-3-bicyclo[5.3.1]undecanyl)methyl carbamimidate?
The InChIKey is IAVHMQQNOWABEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-10-6-12-4-3-5-13(8-12)11(2)14(7-10)9-18-15(16)17/h10-14H,3-9H2,1-2H3,(H3,16,17).
What are the key properties of (2,5-dimethyl-3-bicyclo[5.3.1]undecanyl)methyl carbamimidate?
(2,5-dimethyl-3-bicyclo[5.3.1]undecanyl)methyl carbamimidate has a molecular weight of 252.40 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-3-bicyclo[5.3.1]undecanyl)methyl carbamimidate is sourced from PubChem (CID 143332958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).