N-(1-adamantyl)-1-(aminomethyl)-3-methylcyclobutane-1-carboxamide

C17H28N2O — CID 80587740

IUPACN-(1-adamantyl)-1-(aminomethyl)-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(CN)(C(=O)NC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C17H28N2O/c1-11-5-16(6-11,10-18)15(20)19-17-7-12-2-13(8-17)4-14(3-12)9-17/h11-14H,2-10,18H2,1H3,(H,19,20)
InChIKeyOLGHNGJEGRXCBM-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.45
Rot. Bonds3

About N-(1-adamantyl)-1-(aminomethyl)-3-methylcyclobutane-1-carboxamide

N-(1-adamantyl)-1-(aminomethyl)-3-methylcyclobutane-1-carboxamide (PubChem CID 80587740) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(1-adamantyl)-1-(aminomethyl)-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-(aminomethyl)-3-methylcyclobutane-1-carboxamide
PubChem CID80587740
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(1-adamantyl)-1-(aminomethyl)-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(CN)(C(=O)NC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C17H28N2O/c1-11-5-16(6-11,10-18)15(20)19-17-7-12-2-13(8-17)4-14(3-12)9-17/h11-14H,2-10,18H2,1H3,(H,19,20)
InChIKeyOLGHNGJEGRXCBM-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-(aminomethyl)-3-methylcyclobutane-1-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-(aminomethyl)-3-methylcyclobutane-1-carboxamide (CID 80587740) is N-(1-adamantyl)-1-(aminomethyl)-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-(aminomethyl)-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-(aminomethyl)-3-methylcyclobutane-1-carboxamide is CC1CC(CN)(C(=O)NC23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of N-(1-adamantyl)-1-(aminomethyl)-3-methylcyclobutane-1-carboxamide?
The InChIKey is OLGHNGJEGRXCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-11-5-16(6-11,10-18)15(20)19-17-7-12-2-13(8-17)4-14(3-12)9-17/h11-14H,2-10,18H2,1H3,(H,19,20).
What are the key properties of N-(1-adamantyl)-1-(aminomethyl)-3-methylcyclobutane-1-carboxamide?
N-(1-adamantyl)-1-(aminomethyl)-3-methylcyclobutane-1-carboxamide has a molecular weight of 276.42 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-(aminomethyl)-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 80587740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).