(2R)-2-(1-adamantylmethylamino)propan-1-ol

C14H25NO — CID 7090704

IUPAC(2R)-2-(1-adamantylmethylamino)propan-1-ol
SMILESC[C@H](CO)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H25NO/c1-10(8-16)15-9-14-5-11-2-12(6-14)4-13(3-11)7-14/h10-13,15-16H,2-9H2,1H3/t10-,11?,12?,13?,14?/m1/s1
InChIKeyQAISRKUBDZJUPZ-ZGCIAEMCSA-N
MW223.36 g/mol
LogP2.17
Rot. Bonds4

About (2R)-2-(1-adamantylmethylamino)propan-1-ol

(2R)-2-(1-adamantylmethylamino)propan-1-ol (PubChem CID 7090704) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (2R)-2-(1-adamantylmethylamino)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-(1-adamantylmethylamino)propan-1-ol
PubChem CID7090704
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(2R)-2-(1-adamantylmethylamino)propan-1-ol
SMILESC[C@H](CO)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H25NO/c1-10(8-16)15-9-14-5-11-2-12(6-14)4-13(3-11)7-14/h10-13,15-16H,2-9H2,1H3/t10-,11?,12?,13?,14?/m1/s1
InChIKeyQAISRKUBDZJUPZ-ZGCIAEMCSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-adamantylmethylamino)propan-1-ol?
The IUPAC name of (2R)-2-(1-adamantylmethylamino)propan-1-ol (CID 7090704) is (2R)-2-(1-adamantylmethylamino)propan-1-ol.
What is the SMILES notation for (2R)-2-(1-adamantylmethylamino)propan-1-ol?
The canonical SMILES for (2R)-2-(1-adamantylmethylamino)propan-1-ol is C[C@H](CO)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (2R)-2-(1-adamantylmethylamino)propan-1-ol?
The InChIKey is QAISRKUBDZJUPZ-ZGCIAEMCSA-N. The full InChI is InChI=1S/C14H25NO/c1-10(8-16)15-9-14-5-11-2-12(6-14)4-13(3-11)7-14/h10-13,15-16H,2-9H2,1H3/t10-,11?,12?,13?,14?/m1/s1.
What are the key properties of (2R)-2-(1-adamantylmethylamino)propan-1-ol?
(2R)-2-(1-adamantylmethylamino)propan-1-ol has a molecular weight of 223.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-adamantylmethylamino)propan-1-ol is sourced from PubChem (CID 7090704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).