N-(1-amino-2-methylpropan-2-yl)-N-methyltricyclo[3.2.1.02,4]octane-3-carboxamide

C14H24N2O — CID 114097236

IUPACN-(1-amino-2-methylpropan-2-yl)-N-methyltricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESCN(C(=O)C1C2C3CCC(C3)C12)C(C)(C)CN
InChIInChI=1S/C14H24N2O/c1-14(2,7-15)16(3)13(17)12-10-8-4-5-9(6-8)11(10)12/h8-12H,4-7,15H2,1-3H3
InChIKeyDAJJQECGNUJOGN-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.47
Rot. Bonds3

About N-(1-amino-2-methylpropan-2-yl)-N-methyltricyclo[3.2.1.02,4]octane-3-carboxamide

N-(1-amino-2-methylpropan-2-yl)-N-methyltricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 114097236) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-N-methyltricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-N-methyltricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID114097236
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-N-methyltricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESCN(C(=O)C1C2C3CCC(C3)C12)C(C)(C)CN
InChIInChI=1S/C14H24N2O/c1-14(2,7-15)16(3)13(17)12-10-8-4-5-9(6-8)11(10)12/h8-12H,4-7,15H2,1-3H3
InChIKeyDAJJQECGNUJOGN-UHFFFAOYSA-N
XLogP1.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-N-methyltricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-N-methyltricyclo[3.2.1.02,4]octane-3-carboxamide (CID 114097236) is N-(1-amino-2-methylpropan-2-yl)-N-methyltricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-N-methyltricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-N-methyltricyclo[3.2.1.02,4]octane-3-carboxamide is CN(C(=O)C1C2C3CCC(C3)C12)C(C)(C)CN.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-N-methyltricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is DAJJQECGNUJOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-14(2,7-15)16(3)13(17)12-10-8-4-5-9(6-8)11(10)12/h8-12H,4-7,15H2,1-3H3.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-N-methyltricyclo[3.2.1.02,4]octane-3-carboxamide?
N-(1-amino-2-methylpropan-2-yl)-N-methyltricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 236.36 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-N-methyltricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 114097236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).