(1R,2S)-1-cyclopenta-2,4-dien-1-yl-2-(dibenzylamino)-4-methylpentan-1-ol

C25H31NO — CID 101059761

IUPAC(1R,2S)-1-cyclopenta-2,4-dien-1-yl-2-(dibenzylamino)-4-methylpentan-1-ol
SMILESCC(C)C[C@@H]([C@H](O)C1C=CC=C1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H31NO/c1-20(2)17-24(25(27)23-15-9-10-16-23)26(18-21-11-5-3-6-12-21)19-22-13-7-4-8-14-22/h3-16,20,23-25,27H,17-19H2,1-2H3/t24-,25+/m0/s1
InChIKeyOKOPJRDHGCFAKZ-LOSJGSFVSA-N
MW361.53 g/mol
LogP5.21
Rot. Bonds9

About (1R,2S)-1-cyclopenta-2,4-dien-1-yl-2-(dibenzylamino)-4-methylpentan-1-ol

(1R,2S)-1-cyclopenta-2,4-dien-1-yl-2-(dibenzylamino)-4-methylpentan-1-ol (PubChem CID 101059761) has the molecular formula C25H31NO and a molecular weight of 361.53 g/mol. Its IUPAC name is (1R,2S)-1-cyclopenta-2,4-dien-1-yl-2-(dibenzylamino)-4-methylpentan-1-ol.

Molecular Properties

Compound Name(1R,2S)-1-cyclopenta-2,4-dien-1-yl-2-(dibenzylamino)-4-methylpentan-1-ol
PubChem CID101059761
Molecular FormulaC25H31NO
Molecular Weight361.53 g/mol
Exact Mass361.24
IUPAC Name(1R,2S)-1-cyclopenta-2,4-dien-1-yl-2-(dibenzylamino)-4-methylpentan-1-ol
SMILESCC(C)C[C@@H]([C@H](O)C1C=CC=C1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H31NO/c1-20(2)17-24(25(27)23-15-9-10-16-23)26(18-21-11-5-3-6-12-21)19-22-13-7-4-8-14-22/h3-16,20,23-25,27H,17-19H2,1-2H3/t24-,25+/m0/s1
InChIKeyOKOPJRDHGCFAKZ-LOSJGSFVSA-N
XLogP5.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.53
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,2S)-1-cyclopenta-2,4-dien-1-yl-2-(dibenzylamino)-4-methylpentan-1-ol with MolForge

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Related Compounds

(E,3S,4S)-4-(dibenzylamino)-6-methyl-1-phenylhept-1-en-3-ol
CID 102427916
(2S)-2-(dibenzylamino)-4-methylpentan-1-ol;hydrobromide
CID 70098322
[(2S,3S)-3-(dibenzylamino)-1-iodo-5-methylhexan-2-yl] acetate
CID 10624516
chloromethylbenzene;1-(dibenzylamino)ethanol
CID 66601956
methyl (2S)-2-(dibenzylamino)-4-methylpentanoate
CID 54055592
(2R,3R)-2-(dibenzylamino)-1-phenylpentan-3-ol
CID 58894379
methyl (2S,3R,4S,5S)-5-(dibenzylamino)-4-[di(propan-2-yl)carbamoyloxy]-3-hydroxy-7-methyl-2-propan-2-yloctanoate
CID 10984646
2-[1-(dibenzylamino)-4-methylpentyl]propanedioic acid
CID 175153951
(3S)-3-(dibenzylamino)-1-hydroxy-5-methyl-1-methylsulfanylhexan-2-one
CID 10981543
(1R,2S)-2-[benzyl-[methyl(phosphanyl)phosphanyl]amino]-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-ol
CID 158348651
(1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol
CID 11484349
(2R,4R,5S)-5-(dibenzylamino)-6-methylheptane-2,4-diol
CID 101401413

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-cyclopenta-2,4-dien-1-yl-2-(dibenzylamino)-4-methylpentan-1-ol?
The IUPAC name of (1R,2S)-1-cyclopenta-2,4-dien-1-yl-2-(dibenzylamino)-4-methylpentan-1-ol (CID 101059761) is (1R,2S)-1-cyclopenta-2,4-dien-1-yl-2-(dibenzylamino)-4-methylpentan-1-ol.
What is the SMILES notation for (1R,2S)-1-cyclopenta-2,4-dien-1-yl-2-(dibenzylamino)-4-methylpentan-1-ol?
The canonical SMILES for (1R,2S)-1-cyclopenta-2,4-dien-1-yl-2-(dibenzylamino)-4-methylpentan-1-ol is CC(C)C[C@@H]([C@H](O)C1C=CC=C1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (1R,2S)-1-cyclopenta-2,4-dien-1-yl-2-(dibenzylamino)-4-methylpentan-1-ol?
The InChIKey is OKOPJRDHGCFAKZ-LOSJGSFVSA-N. The full InChI is InChI=1S/C25H31NO/c1-20(2)17-24(25(27)23-15-9-10-16-23)26(18-21-11-5-3-6-12-21)19-22-13-7-4-8-14-22/h3-16,20,23-25,27H,17-19H2,1-2H3/t24-,25+/m0/s1.
What are the key properties of (1R,2S)-1-cyclopenta-2,4-dien-1-yl-2-(dibenzylamino)-4-methylpentan-1-ol?
(1R,2S)-1-cyclopenta-2,4-dien-1-yl-2-(dibenzylamino)-4-methylpentan-1-ol has a molecular weight of 361.53 g/mol, XLogP of 5.21, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-cyclopenta-2,4-dien-1-yl-2-(dibenzylamino)-4-methylpentan-1-ol is sourced from PubChem (CID 101059761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).