N-[(2S)-1-methoxypropan-2-yl]adamantan-2-amine

C14H25NO — CID 784152

IUPACN-[(2S)-1-methoxypropan-2-yl]adamantan-2-amine
SMILESCOC[C@H](C)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H25NO/c1-9(8-16-2)15-14-12-4-10-3-11(6-12)7-13(14)5-10/h9-15H,3-8H2,1-2H3/t9-,10?,11?,12?,13?,14?/m0/s1
InChIKeyUUWHCWKESKHYAR-FTPDJBBVSA-N
MW223.36 g/mol
LogP2.44
Rot. Bonds4

About N-[(2S)-1-methoxypropan-2-yl]adamantan-2-amine

N-[(2S)-1-methoxypropan-2-yl]adamantan-2-amine (PubChem CID 784152) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]adamantan-2-amine.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]adamantan-2-amine
PubChem CID784152
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]adamantan-2-amine
SMILESCOC[C@H](C)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H25NO/c1-9(8-16-2)15-14-12-4-10-3-11(6-12)7-13(14)5-10/h9-15H,3-8H2,1-2H3/t9-,10?,11?,12?,13?,14?/m0/s1
InChIKeyUUWHCWKESKHYAR-FTPDJBBVSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Adamantan-2-yl-(3-morpholin-4-yl-propyl)-amine
CID 16682464
Ethanol, 2-(2-adamantylamino)-, hydrochloride
CID 64368
2-(2-Adamantylamino)ethanol
CID 64369
N-[3-(4-morpholinyl)propyl]-2-adamantanamine
CID 1599975
2-Adamantyl(3-methoxypropyl)amine
CID 2245069
2-Adamantyl(2-methoxy-1-methylethyl)amine
CID 3715788
2-Adamantylaminopropanol
CID 138961432
2-Adamantyl[2-(4-morpholinyl)ethyl]amine
CID 742598
2-[1-(1-Adamantyl)propan-2-ylamino]ethanol
CID 36012
N-[2-(2,2,2-trifluoroethoxy)ethyl]adamantan-2-amine
CID 55032056
1-(1-adamantyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 63488580
1-(1-adamantyl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 65804037

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]adamantan-2-amine?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]adamantan-2-amine (CID 784152) is N-[(2S)-1-methoxypropan-2-yl]adamantan-2-amine.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]adamantan-2-amine?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]adamantan-2-amine is COC[C@H](C)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]adamantan-2-amine?
The InChIKey is UUWHCWKESKHYAR-FTPDJBBVSA-N. The full InChI is InChI=1S/C14H25NO/c1-9(8-16-2)15-14-12-4-10-3-11(6-12)7-13(14)5-10/h9-15H,3-8H2,1-2H3/t9-,10?,11?,12?,13?,14?/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]adamantan-2-amine?
N-[(2S)-1-methoxypropan-2-yl]adamantan-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxypropan-2-yl]adamantan-2-amine is sourced from PubChem (CID 784152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).