(1R)-1-(2-adamantyl)-N-[(1R)-1-phenylethyl]ethanamine

C20H29N — CID 7573924

IUPAC(1R)-1-(2-adamantyl)-N-[(1R)-1-phenylethyl]ethanamine
SMILESC[C@@H](N[C@H](C)C1C2CC3CC(C2)CC1C3)c1ccccc1
InChIInChI=1S/C20H29N/c1-13(17-6-4-3-5-7-17)21-14(2)20-18-9-15-8-16(11-18)12-19(20)10-15/h3-7,13-16,18-21H,8-12H2,1-2H3/t13-,14-,15?,16?,18?,19?,20?/m1/s1
InChIKeyFGSYYGBILMOKEY-YEQVMFDPSA-N
MW283.46 g/mol
LogP4.80
Rot. Bonds4

About (1R)-1-(2-adamantyl)-N-[(1R)-1-phenylethyl]ethanamine

(1R)-1-(2-adamantyl)-N-[(1R)-1-phenylethyl]ethanamine (PubChem CID 7573924) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is (1R)-1-(2-adamantyl)-N-[(1R)-1-phenylethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-adamantyl)-N-[(1R)-1-phenylethyl]ethanamine
PubChem CID7573924
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC Name(1R)-1-(2-adamantyl)-N-[(1R)-1-phenylethyl]ethanamine
SMILESC[C@@H](N[C@H](C)C1C2CC3CC(C2)CC1C3)c1ccccc1
InChIInChI=1S/C20H29N/c1-13(17-6-4-3-5-7-17)21-14(2)20-18-9-15-8-16(11-18)12-19(20)10-15/h3-7,13-16,18-21H,8-12H2,1-2H3/t13-,14-,15?,16?,18?,19?,20?/m1/s1
InChIKeyFGSYYGBILMOKEY-YEQVMFDPSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-phenylethyl]adamantan-2-amine
CID 81350698
N-(1-phenylethyl)adamantan-2-amine
CID 43405877
(1R)-N-(2-adamantylmethyl)-1-phenylethanamine
CID 134991731
(1S)-1-cyclopentyl-N-[(1R)-1-phenylethyl]ethanamine
CID 67209455
2-adamantyl(phenyl)methanamine
CID 81096130
2-[methoxy(phenyl)methyl]adamantane
CID 86199572
N-[2-adamantyl(phenyl)methyl]ethanamine
CID 81098673
1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine
CID 59070989
N-[(1R)-1-phenylethyl]propan-2-amine;hydrochloride
CID 22831491
2-(2-adamantyl)-2-[(2-hydroxy-1-phenylethyl)amino]acetic acid
CID 174731482
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-(1-phenylethyl)ethanamine
CID 72529243
2-(2-adamantyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetonitrile
CID 174731347

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-adamantyl)-N-[(1R)-1-phenylethyl]ethanamine?
The IUPAC name of (1R)-1-(2-adamantyl)-N-[(1R)-1-phenylethyl]ethanamine (CID 7573924) is (1R)-1-(2-adamantyl)-N-[(1R)-1-phenylethyl]ethanamine.
What is the SMILES notation for (1R)-1-(2-adamantyl)-N-[(1R)-1-phenylethyl]ethanamine?
The canonical SMILES for (1R)-1-(2-adamantyl)-N-[(1R)-1-phenylethyl]ethanamine is C[C@@H](N[C@H](C)C1C2CC3CC(C2)CC1C3)c1ccccc1.
What is the InChIKey of (1R)-1-(2-adamantyl)-N-[(1R)-1-phenylethyl]ethanamine?
The InChIKey is FGSYYGBILMOKEY-YEQVMFDPSA-N. The full InChI is InChI=1S/C20H29N/c1-13(17-6-4-3-5-7-17)21-14(2)20-18-9-15-8-16(11-18)12-19(20)10-15/h3-7,13-16,18-21H,8-12H2,1-2H3/t13-,14-,15?,16?,18?,19?,20?/m1/s1.
What are the key properties of (1R)-1-(2-adamantyl)-N-[(1R)-1-phenylethyl]ethanamine?
(1R)-1-(2-adamantyl)-N-[(1R)-1-phenylethyl]ethanamine has a molecular weight of 283.46 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-adamantyl)-N-[(1R)-1-phenylethyl]ethanamine is sourced from PubChem (CID 7573924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).