(5R,7R)-3-[(1R)-1-[[(2R)-5-methylhex-5-en-2-yl]amino]ethyl]adamantan-1-ol

C19H33NO — CID 129418828

IUPAC(5R,7R)-3-[(1R)-1-[[(2R)-5-methylhex-5-en-2-yl]amino]ethyl]adamantan-1-ol
SMILESC=C(C)CC[C@@H](C)N[C@H](C)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2
InChIInChI=1S/C19H33NO/c1-13(2)5-6-14(3)20-15(4)18-8-16-7-17(9-18)11-19(21,10-16)12-18/h14-17,20-21H,1,5-12H2,2-4H3/t14-,15-,16-,17-,18?,19?/m1/s1
InChIKeyXXGQHGQYXPGDMQ-FSLMHTPDSA-N
MW291.48 g/mol
LogP4.04
Rot. Bonds6

About (5R,7R)-3-[(1R)-1-[[(2R)-5-methylhex-5-en-2-yl]amino]ethyl]adamantan-1-ol

(5R,7R)-3-[(1R)-1-[[(2R)-5-methylhex-5-en-2-yl]amino]ethyl]adamantan-1-ol (PubChem CID 129418828) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is (5R,7R)-3-[(1R)-1-[[(2R)-5-methylhex-5-en-2-yl]amino]ethyl]adamantan-1-ol.

Molecular Properties

Compound Name(5R,7R)-3-[(1R)-1-[[(2R)-5-methylhex-5-en-2-yl]amino]ethyl]adamantan-1-ol
PubChem CID129418828
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name(5R,7R)-3-[(1R)-1-[[(2R)-5-methylhex-5-en-2-yl]amino]ethyl]adamantan-1-ol
SMILESC=C(C)CC[C@@H](C)N[C@H](C)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2
InChIInChI=1S/C19H33NO/c1-13(2)5-6-14(3)20-15(4)18-8-16-7-17(9-18)11-19(21,10-16)12-18/h14-17,20-21H,1,5-12H2,2-4H3/t14-,15-,16-,17-,18?,19?/m1/s1
InChIKeyXXGQHGQYXPGDMQ-FSLMHTPDSA-N
XLogP4.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R,7R)-3-[(1R)-1-[[(2R)-5-methylhex-5-en-2-yl]amino]ethyl]adamantan-1-ol?
The IUPAC name of (5R,7R)-3-[(1R)-1-[[(2R)-5-methylhex-5-en-2-yl]amino]ethyl]adamantan-1-ol (CID 129418828) is (5R,7R)-3-[(1R)-1-[[(2R)-5-methylhex-5-en-2-yl]amino]ethyl]adamantan-1-ol.
What is the SMILES notation for (5R,7R)-3-[(1R)-1-[[(2R)-5-methylhex-5-en-2-yl]amino]ethyl]adamantan-1-ol?
The canonical SMILES for (5R,7R)-3-[(1R)-1-[[(2R)-5-methylhex-5-en-2-yl]amino]ethyl]adamantan-1-ol is C=C(C)CC[C@@H](C)N[C@H](C)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2.
What is the InChIKey of (5R,7R)-3-[(1R)-1-[[(2R)-5-methylhex-5-en-2-yl]amino]ethyl]adamantan-1-ol?
The InChIKey is XXGQHGQYXPGDMQ-FSLMHTPDSA-N. The full InChI is InChI=1S/C19H33NO/c1-13(2)5-6-14(3)20-15(4)18-8-16-7-17(9-18)11-19(21,10-16)12-18/h14-17,20-21H,1,5-12H2,2-4H3/t14-,15-,16-,17-,18?,19?/m1/s1.
What are the key properties of (5R,7R)-3-[(1R)-1-[[(2R)-5-methylhex-5-en-2-yl]amino]ethyl]adamantan-1-ol?
(5R,7R)-3-[(1R)-1-[[(2R)-5-methylhex-5-en-2-yl]amino]ethyl]adamantan-1-ol has a molecular weight of 291.48 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-3-[(1R)-1-[[(2R)-5-methylhex-5-en-2-yl]amino]ethyl]adamantan-1-ol is sourced from PubChem (CID 129418828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).