N-(1-adamantylmethyl)-2-amino-1-methylcyclopentane-1-carboxamide

C18H30N2O — CID 82758318

IUPACN-(1-adamantylmethyl)-2-amino-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NCC23CC4CC(CC(C4)C2)C3)CCCC1N
InChIInChI=1S/C18H30N2O/c1-17(4-2-3-15(17)19)16(21)20-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h12-15H,2-11,19H2,1H3,(H,20,21)
InChIKeySCMYRGBGIQHQFU-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.84
Rot. Bonds3

About N-(1-adamantylmethyl)-2-amino-1-methylcyclopentane-1-carboxamide

N-(1-adamantylmethyl)-2-amino-1-methylcyclopentane-1-carboxamide (PubChem CID 82758318) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-amino-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-amino-1-methylcyclopentane-1-carboxamide
PubChem CID82758318
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-(1-adamantylmethyl)-2-amino-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NCC23CC4CC(CC(C4)C2)C3)CCCC1N
InChIInChI=1S/C18H30N2O/c1-17(4-2-3-15(17)19)16(21)20-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h12-15H,2-11,19H2,1H3,(H,20,21)
InChIKeySCMYRGBGIQHQFU-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-(1-adamantylmethyl)-2-amino-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-2-amino-1-methylcyclopentane-1-carboxamide (CID 82758318) is N-(1-adamantylmethyl)-2-amino-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-amino-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-amino-1-methylcyclopentane-1-carboxamide is CC1(C(=O)NCC23CC4CC(CC(C4)C2)C3)CCCC1N.
What is the InChIKey of N-(1-adamantylmethyl)-2-amino-1-methylcyclopentane-1-carboxamide?
The InChIKey is SCMYRGBGIQHQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-17(4-2-3-15(17)19)16(21)20-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h12-15H,2-11,19H2,1H3,(H,20,21).
What are the key properties of N-(1-adamantylmethyl)-2-amino-1-methylcyclopentane-1-carboxamide?
N-(1-adamantylmethyl)-2-amino-1-methylcyclopentane-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-(1-adamantylmethyl)-2-amino-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 82758318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).