N-[(2-aminocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide

C15H26N2O — CID 64928421

IUPACN-[(2-aminocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1CCCCC1CNC(=O)C1CC2CCC1C2
InChIInChI=1S/C15H26N2O/c16-14-4-2-1-3-12(14)9-17-15(18)13-8-10-5-6-11(13)7-10/h10-14H,1-9,16H2,(H,17,18)
InChIKeyIGUPJIWMDXRKTL-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.06
Rot. Bonds3

About N-[(2-aminocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide

N-[(2-aminocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 64928421) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[(2-aminocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[(2-aminocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID64928421
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[(2-aminocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1CCCCC1CNC(=O)C1CC2CCC1C2
InChIInChI=1S/C15H26N2O/c16-14-4-2-1-3-12(14)9-17-15(18)13-8-10-5-6-11(13)7-10/h10-14H,1-9,16H2,(H,17,18)
InChIKeyIGUPJIWMDXRKTL-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-aminocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[(2-aminocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 64928421) is N-[(2-aminocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[(2-aminocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[(2-aminocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide is NC1CCCCC1CNC(=O)C1CC2CCC1C2.
What is the InChIKey of N-[(2-aminocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is IGUPJIWMDXRKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c16-14-4-2-1-3-12(14)9-17-15(18)13-8-10-5-6-11(13)7-10/h10-14H,1-9,16H2,(H,17,18).
What are the key properties of N-[(2-aminocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[(2-aminocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 250.39 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 64928421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).