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

C17H28N2O — CID 115448046

IUPACN-(2-adamantyl)-1-(aminomethyl)-N-methylcyclobutane-1-carboxamide
SMILESCN(C(=O)C1(CN)CCC1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H28N2O/c1-19(16(20)17(10-18)3-2-4-17)15-13-6-11-5-12(8-13)9-14(15)7-11/h11-15H,2-10,18H2,1H3
InChIKeySJILVJBREJXXIB-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.40
Rot. Bonds3

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

N-(2-adamantyl)-1-(aminomethyl)-N-methylcyclobutane-1-carboxamide (PubChem CID 115448046) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(2-adamantyl)-1-(aminomethyl)-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-1-(aminomethyl)-N-methylcyclobutane-1-carboxamide
PubChem CID115448046
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(2-adamantyl)-1-(aminomethyl)-N-methylcyclobutane-1-carboxamide
SMILESCN(C(=O)C1(CN)CCC1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H28N2O/c1-19(16(20)17(10-18)3-2-4-17)15-13-6-11-5-12(8-13)9-14(15)7-11/h11-15H,2-10,18H2,1H3
InChIKeySJILVJBREJXXIB-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-1-(aminomethyl)-N-methylcyclobutane-1-carboxamide?
The IUPAC name of N-(2-adamantyl)-1-(aminomethyl)-N-methylcyclobutane-1-carboxamide (CID 115448046) is N-(2-adamantyl)-1-(aminomethyl)-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-1-(aminomethyl)-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-(2-adamantyl)-1-(aminomethyl)-N-methylcyclobutane-1-carboxamide is CN(C(=O)C1(CN)CCC1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-1-(aminomethyl)-N-methylcyclobutane-1-carboxamide?
The InChIKey is SJILVJBREJXXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-19(16(20)17(10-18)3-2-4-17)15-13-6-11-5-12(8-13)9-14(15)7-11/h11-15H,2-10,18H2,1H3.
What are the key properties of N-(2-adamantyl)-1-(aminomethyl)-N-methylcyclobutane-1-carboxamide?
N-(2-adamantyl)-1-(aminomethyl)-N-methylcyclobutane-1-carboxamide has a molecular weight of 276.42 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-1-(aminomethyl)-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 115448046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).