N-(2-adamantyl)-1-(aminomethyl)cyclohexane-1-carboxamide

C18H30N2O — CID 115437394

IUPACN-(2-adamantyl)-1-(aminomethyl)cyclohexane-1-carboxamide
SMILESNCC1(C(=O)NC2C3CC4CC(C3)CC2C4)CCCCC1
InChIInChI=1S/C18H30N2O/c19-11-18(4-2-1-3-5-18)17(21)20-16-14-7-12-6-13(9-14)10-15(16)8-12/h12-16H,1-11,19H2,(H,20,21)
InChIKeyZQNFSTQWWNCXJS-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.84
Rot. Bonds3

About N-(2-adamantyl)-1-(aminomethyl)cyclohexane-1-carboxamide

N-(2-adamantyl)-1-(aminomethyl)cyclohexane-1-carboxamide (PubChem CID 115437394) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-(2-adamantyl)-1-(aminomethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-1-(aminomethyl)cyclohexane-1-carboxamide
PubChem CID115437394
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-(2-adamantyl)-1-(aminomethyl)cyclohexane-1-carboxamide
SMILESNCC1(C(=O)NC2C3CC4CC(C3)CC2C4)CCCCC1
InChIInChI=1S/C18H30N2O/c19-11-18(4-2-1-3-5-18)17(21)20-16-14-7-12-6-13(9-14)10-15(16)8-12/h12-16H,1-11,19H2,(H,20,21)
InChIKeyZQNFSTQWWNCXJS-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-1-(aminomethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2-adamantyl)-1-(aminomethyl)cyclohexane-1-carboxamide (CID 115437394) is N-(2-adamantyl)-1-(aminomethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-1-(aminomethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-adamantyl)-1-(aminomethyl)cyclohexane-1-carboxamide is NCC1(C(=O)NC2C3CC4CC(C3)CC2C4)CCCCC1.
What is the InChIKey of N-(2-adamantyl)-1-(aminomethyl)cyclohexane-1-carboxamide?
The InChIKey is ZQNFSTQWWNCXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c19-11-18(4-2-1-3-5-18)17(21)20-16-14-7-12-6-13(9-14)10-15(16)8-12/h12-16H,1-11,19H2,(H,20,21).
What are the key properties of N-(2-adamantyl)-1-(aminomethyl)cyclohexane-1-carboxamide?
N-(2-adamantyl)-1-(aminomethyl)cyclohexane-1-carboxamide has a molecular weight of 290.45 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-1-(aminomethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115437394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).