trans-(1S,2S)-2-[1-(1-adamantyl)ethylamino]cyclopentan-1-ol

C17H29NO — CID 102732911

IUPACtrans-(1S,2S)-2-[1-(1-adamantyl)ethylamino]cyclopentan-1-ol
SMILESCC(N[C@H]1CCC[C@@H]1O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H29NO/c1-11(18-15-3-2-4-16(15)19)17-8-12-5-13(9-17)7-14(6-12)10-17/h11-16,18-19H,2-10H2,1H3/t11?,12?,13?,14?,15-,16-,17?/m0/s1
InChIKeyTXHYLDLLBDTEOZ-GFJZSFIYSA-N
MW263.42 g/mol
LogP3.09
Rot. Bonds3

About trans-(1S,2S)-2-[1-(1-adamantyl)ethylamino]cyclopentan-1-ol

trans-(1S,2S)-2-[1-(1-adamantyl)ethylamino]cyclopentan-1-ol (PubChem CID 102732911) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is trans-(1S,2S)-2-[1-(1-adamantyl)ethylamino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[1-(1-adamantyl)ethylamino]cyclopentan-1-ol
PubChem CID102732911
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Nametrans-(1S,2S)-2-[1-(1-adamantyl)ethylamino]cyclopentan-1-ol
SMILESCC(N[C@H]1CCC[C@@H]1O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H29NO/c1-11(18-15-3-2-4-16(15)19)17-8-12-5-13(9-17)7-14(6-12)10-17/h11-16,18-19H,2-10H2,1H3/t11?,12?,13?,14?,15-,16-,17?/m0/s1
InChIKeyTXHYLDLLBDTEOZ-GFJZSFIYSA-N
XLogP3.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[1-(1-adamantyl)ethylamino]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[1-(1-adamantyl)ethylamino]cyclopentan-1-ol (CID 102732911) is trans-(1S,2S)-2-[1-(1-adamantyl)ethylamino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[1-(1-adamantyl)ethylamino]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[1-(1-adamantyl)ethylamino]cyclopentan-1-ol is CC(N[C@H]1CCC[C@@H]1O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of trans-(1S,2S)-2-[1-(1-adamantyl)ethylamino]cyclopentan-1-ol?
The InChIKey is TXHYLDLLBDTEOZ-GFJZSFIYSA-N. The full InChI is InChI=1S/C17H29NO/c1-11(18-15-3-2-4-16(15)19)17-8-12-5-13(9-17)7-14(6-12)10-17/h11-16,18-19H,2-10H2,1H3/t11?,12?,13?,14?,15-,16-,17?/m0/s1.
What are the key properties of trans-(1S,2S)-2-[1-(1-adamantyl)ethylamino]cyclopentan-1-ol?
trans-(1S,2S)-2-[1-(1-adamantyl)ethylamino]cyclopentan-1-ol has a molecular weight of 263.42 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[1-(1-adamantyl)ethylamino]cyclopentan-1-ol is sourced from PubChem (CID 102732911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).