N-(2-amino-1-cyclopropylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

C14H22N2O — CID 113265821

IUPACN-(2-amino-1-cyclopropylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESNCC(NC(=O)C1C2C3CCC(C3)C12)C1CC1
InChIInChI=1S/C14H22N2O/c15-6-10(7-1-2-7)16-14(17)13-11-8-3-4-9(5-8)12(11)13/h7-13H,1-6,15H2,(H,16,17)
InChIKeyYXAZPQJNZGVLNL-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.13
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

N-(2-amino-1-cyclopropylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 113265821) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID113265821
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(2-amino-1-cyclopropylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESNCC(NC(=O)C1C2C3CCC(C3)C12)C1CC1
InChIInChI=1S/C14H22N2O/c15-6-10(7-1-2-7)16-14(17)13-11-8-3-4-9(5-8)12(11)13/h7-13H,1-6,15H2,(H,16,17)
InChIKeyYXAZPQJNZGVLNL-UHFFFAOYSA-N
XLogP1.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (CID 113265821) is N-(2-amino-1-cyclopropylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is NCC(NC(=O)C1C2C3CCC(C3)C12)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is YXAZPQJNZGVLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c15-6-10(7-1-2-7)16-14(17)13-11-8-3-4-9(5-8)12(11)13/h7-13H,1-6,15H2,(H,16,17).
What are the key properties of N-(2-amino-1-cyclopropylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
N-(2-amino-1-cyclopropylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 234.34 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 113265821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).