(1S)-1-(1-adamantyl)ethanamine

C12H21N — CID 7048784

IUPAC(1S)-1-(1-adamantyl)ethanamine
SMILESC[C@H](N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3/t8-,9?,10?,11?,12?/m0/s1
InChIKeyUBCHPRBFMUDMNC-JKJWBTBISA-N
MW179.31 g/mol
LogP2.55
Rot. Bonds1

About (1S)-1-(1-adamantyl)ethanamine

(1S)-1-(1-adamantyl)ethanamine (PubChem CID 7048784) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (1S)-1-(1-adamantyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(1-adamantyl)ethanamine
PubChem CID7048784
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(1S)-1-(1-adamantyl)ethanamine
SMILESC[C@H](N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3/t8-,9?,10?,11?,12?/m0/s1
InChIKeyUBCHPRBFMUDMNC-JKJWBTBISA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-adamantyl)ethanamine?
The IUPAC name of (1S)-1-(1-adamantyl)ethanamine (CID 7048784) is (1S)-1-(1-adamantyl)ethanamine.
What is the SMILES notation for (1S)-1-(1-adamantyl)ethanamine?
The canonical SMILES for (1S)-1-(1-adamantyl)ethanamine is C[C@H](N)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (1S)-1-(1-adamantyl)ethanamine?
The InChIKey is UBCHPRBFMUDMNC-JKJWBTBISA-N. The full InChI is InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3/t8-,9?,10?,11?,12?/m0/s1.
What are the key properties of (1S)-1-(1-adamantyl)ethanamine?
(1S)-1-(1-adamantyl)ethanamine has a molecular weight of 179.31 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-adamantyl)ethanamine is sourced from PubChem (CID 7048784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).