N-(2-adamantylmethyl)ethanamine

C13H23N — CID 81096039

IUPACN-(2-adamantylmethyl)ethanamine
SMILESCCNCC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H23N/c1-2-14-8-13-11-4-9-3-10(6-11)7-12(13)5-9/h9-14H,2-8H2,1H3
InChIKeyQPSNEGXXYWPDAT-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.67
Rot. Bonds3

About N-(2-adamantylmethyl)ethanamine

N-(2-adamantylmethyl)ethanamine (PubChem CID 81096039) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-(2-adamantylmethyl)ethanamine.

Molecular Properties

Compound NameN-(2-adamantylmethyl)ethanamine
PubChem CID81096039
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-(2-adamantylmethyl)ethanamine
SMILESCCNCC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H23N/c1-2-14-8-13-11-4-9-3-10(6-11)7-12(13)5-9/h9-14H,2-8H2,1H3
InChIKeyQPSNEGXXYWPDAT-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantylmethyl)ethanamine?
The IUPAC name of N-(2-adamantylmethyl)ethanamine (CID 81096039) is N-(2-adamantylmethyl)ethanamine.
What is the SMILES notation for N-(2-adamantylmethyl)ethanamine?
The canonical SMILES for N-(2-adamantylmethyl)ethanamine is CCNCC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantylmethyl)ethanamine?
The InChIKey is QPSNEGXXYWPDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-2-14-8-13-11-4-9-3-10(6-11)7-12(13)5-9/h9-14H,2-8H2,1H3.
What are the key properties of N-(2-adamantylmethyl)ethanamine?
N-(2-adamantylmethyl)ethanamine has a molecular weight of 193.33 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantylmethyl)ethanamine is sourced from PubChem (CID 81096039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).