N-(2-aminocyclohexyl)-N-methyladamantane-2-carboxamide

C18H30N2O — CID 102638866

IUPACN-(2-aminocyclohexyl)-N-methyladamantane-2-carboxamide
SMILESCN(C(=O)C1C2CC3CC(C2)CC1C3)C1CCCCC1N
InChIInChI=1S/C18H30N2O/c1-20(16-5-3-2-4-15(16)19)18(21)17-13-7-11-6-12(9-13)10-14(17)8-11/h11-17H,2-10,19H2,1H3
InChIKeyVNBSOWZFADLSML-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.79
Rot. Bonds2

About N-(2-aminocyclohexyl)-N-methyladamantane-2-carboxamide

N-(2-aminocyclohexyl)-N-methyladamantane-2-carboxamide (PubChem CID 102638866) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-N-methyladamantane-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-N-methyladamantane-2-carboxamide
PubChem CID102638866
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-(2-aminocyclohexyl)-N-methyladamantane-2-carboxamide
SMILESCN(C(=O)C1C2CC3CC(C2)CC1C3)C1CCCCC1N
InChIInChI=1S/C18H30N2O/c1-20(16-5-3-2-4-15(16)19)18(21)17-13-7-11-6-12(9-13)10-14(17)8-11/h11-17H,2-10,19H2,1H3
InChIKeyVNBSOWZFADLSML-UHFFFAOYSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-N-methyladamantane-2-carboxamide?
The IUPAC name of N-(2-aminocyclohexyl)-N-methyladamantane-2-carboxamide (CID 102638866) is N-(2-aminocyclohexyl)-N-methyladamantane-2-carboxamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-N-methyladamantane-2-carboxamide?
The canonical SMILES for N-(2-aminocyclohexyl)-N-methyladamantane-2-carboxamide is CN(C(=O)C1C2CC3CC(C2)CC1C3)C1CCCCC1N.
What is the InChIKey of N-(2-aminocyclohexyl)-N-methyladamantane-2-carboxamide?
The InChIKey is VNBSOWZFADLSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-20(16-5-3-2-4-15(16)19)18(21)17-13-7-11-6-12(9-13)10-14(17)8-11/h11-17H,2-10,19H2,1H3.
What are the key properties of N-(2-aminocyclohexyl)-N-methyladamantane-2-carboxamide?
N-(2-aminocyclohexyl)-N-methyladamantane-2-carboxamide has a molecular weight of 290.45 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-N-methyladamantane-2-carboxamide is sourced from PubChem (CID 102638866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).