5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-2-ol

C15H29NO — CID 107270410

IUPAC5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-2-ol
SMILESCC(O)CCCNC1CCC2CCCCC2C1
InChIInChI=1S/C15H29NO/c1-12(17)5-4-10-16-15-9-8-13-6-2-3-7-14(13)11-15/h12-17H,2-11H2,1H3
InChIKeyGMCOKSVVAPMVFB-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.10
Rot. Bonds5

About 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-2-ol

5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-2-ol (PubChem CID 107270410) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-2-ol.

Molecular Properties

Compound Name5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-2-ol
PubChem CID107270410
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-2-ol
SMILESCC(O)CCCNC1CCC2CCCCC2C1
InChIInChI=1S/C15H29NO/c1-12(17)5-4-10-16-15-9-8-13-6-2-3-7-14(13)11-15/h12-17H,2-11H2,1H3
InChIKeyGMCOKSVVAPMVFB-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-2-ol with MolForge

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Related Compounds

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-methylbutan-2-ol
CID 115720450
5-[(3-aminocyclohexyl)amino]pentan-2-ol
CID 106121477
5-[(4-propan-2-ylcyclohexyl)amino]pentan-2-ol
CID 107267674
1-[(3-cyclopropylcyclohexyl)amino]propan-2-ol
CID 64593899
5-[(4-methylcycloheptyl)amino]pentan-2-ol
CID 106121910
trans-(1S,2S)-2-(4-hydroxypentylamino)cyclohexan-1-ol
CID 106131373
N-hex-5-ynyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 113348886
5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pentan-2-ol
CID 107270318
N-(3-phenylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 63463227
N-(2-methylsulfanylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 60663658
3-cyclopropyl-N-pentylcyclohexan-1-amine
CID 64596400
(2R)-N-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 167179387

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-2-ol?
The IUPAC name of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-2-ol (CID 107270410) is 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-2-ol.
What is the SMILES notation for 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-2-ol?
The canonical SMILES for 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-2-ol is CC(O)CCCNC1CCC2CCCCC2C1.
What is the InChIKey of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-2-ol?
The InChIKey is GMCOKSVVAPMVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12(17)5-4-10-16-15-9-8-13-6-2-3-7-14(13)11-15/h12-17H,2-11H2,1H3.
What are the key properties of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-2-ol?
5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-2-ol has a molecular weight of 239.40 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-2-ol is sourced from PubChem (CID 107270410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).