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

C15H29NO — CID 115723043

IUPAC3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-1-ol
SMILESCCC(CCO)NC1CCC2CCCCC2C1
InChIInChI=1S/C15H29NO/c1-2-14(9-10-17)16-15-8-7-12-5-3-4-6-13(12)11-15/h12-17H,2-11H2,1H3
InChIKeyVFNJIHPEIDJMHN-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.10
Rot. Bonds5

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

3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-1-ol (PubChem CID 115723043) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-1-ol
PubChem CID115723043
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-1-ol
SMILESCCC(CCO)NC1CCC2CCCCC2C1
InChIInChI=1S/C15H29NO/c1-2-14(9-10-17)16-15-8-7-12-5-3-4-6-13(12)11-15/h12-17H,2-11H2,1H3
InChIKeyVFNJIHPEIDJMHN-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,2,3,4,4a,5,6,7,8,8a-Decahydronaphthalen-2-ylamino)propan-2-ol
CID 16259087
5-[(3,4-Dimethylcyclohexyl)amino]-4-methylpentan-2-OL
CID 86794772
3-(1,2,3,4,4a,5,6,7,8,8a-Decahydronaphthalen-2-ylamino)-2,2-difluoropropan-1-ol
CID 113463346
2-(1,2,3,4,4a,5,6,7,8,8a-Decahydronaphthalen-1-ylamino)ethanol
CID 22484523
2-(1,2,3,4,4a,5,6,7,8,8a-Decahydronaphthalen-2-ylamino)ethanol
CID 22484561
1-[[(8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]amino]-5-aminopentan-1-ol
CID 70892581
1-[1-(2-Methylcyclohexyl)propylamino]butan-1-ol
CID 71071776
1-(1,2,3,4,4a,5,6,7,8,8a-Decahydronaphthalen-1-ylamino)propan-1-ol
CID 175127337
1-(1,2,3,4,4a,5,6,7,8,8a-Decahydronaphthalen-1-ylamino)ethanol
CID 175136207
[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-[(2S)-2-hydroxypropyl]azanium
CID 11921189
(2S)-1-[[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]propan-2-ol
CID 11921190
[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-[(2R)-2-hydroxypropyl]azanium
CID 11921191

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-1-ol?
The IUPAC name of 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-1-ol (CID 115723043) is 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-1-ol.
What is the SMILES notation for 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-1-ol?
The canonical SMILES for 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-1-ol is CCC(CCO)NC1CCC2CCCCC2C1.
What is the InChIKey of 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-1-ol?
The InChIKey is VFNJIHPEIDJMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-2-14(9-10-17)16-15-8-7-12-5-3-4-6-13(12)11-15/h12-17H,2-11H2,1H3.
What are the key properties of 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-1-ol?
3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-1-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 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-1-ol is sourced from PubChem (CID 115723043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).