1-(2-bicyclo[2.2.1]heptanylmethylamino)pentan-3-ol

C13H25NO — CID 104694066

IUPAC1-(2-bicyclo[2.2.1]heptanylmethylamino)pentan-3-ol
SMILESCCC(O)CCNCC1CC2CCC1C2
InChIInChI=1S/C13H25NO/c1-2-13(15)5-6-14-9-12-8-10-3-4-11(12)7-10/h10-15H,2-9H2,1H3
InChIKeyRWTPEDULNMTSRI-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.17
Rot. Bonds6

About 1-(2-bicyclo[2.2.1]heptanylmethylamino)pentan-3-ol

1-(2-bicyclo[2.2.1]heptanylmethylamino)pentan-3-ol (PubChem CID 104694066) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethylamino)pentan-3-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethylamino)pentan-3-ol
PubChem CID104694066
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethylamino)pentan-3-ol
SMILESCCC(O)CCNCC1CC2CCC1C2
InChIInChI=1S/C13H25NO/c1-2-13(15)5-6-14-9-12-8-10-3-4-11(12)7-10/h10-15H,2-9H2,1H3
InChIKeyRWTPEDULNMTSRI-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylamino]ethanethiol
CID 129374501
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylpentan-1-amine
CID 63683470
N-(2-bicyclo[2.2.1]heptanylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79554173
N-(2-bicyclo[2.2.1]heptanylmethyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 113410499
2-(2-bicyclo[2.2.1]heptanyl)-N-[(2R)-2-hydroxybutyl]acetamide
CID 126836505
1-(cyclohexylmethylamino)pentan-3-ol
CID 115757169
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfonylethanamine
CID 63683685
1-(2-bicyclo[2.2.1]heptanyl)-3-(ethylamino)propan-2-ol
CID 79550552
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 112589102
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
CID 104693929
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloropentan-1-amine
CID 107319933
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-2-methylpropan-1-amine
CID 79550151

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethylamino)pentan-3-ol?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethylamino)pentan-3-ol (CID 104694066) is 1-(2-bicyclo[2.2.1]heptanylmethylamino)pentan-3-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethylamino)pentan-3-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethylamino)pentan-3-ol is CCC(O)CCNCC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethylamino)pentan-3-ol?
The InChIKey is RWTPEDULNMTSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-13(15)5-6-14-9-12-8-10-3-4-11(12)7-10/h10-15H,2-9H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethylamino)pentan-3-ol?
1-(2-bicyclo[2.2.1]heptanylmethylamino)pentan-3-ol has a molecular weight of 211.35 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanylmethylamino)pentan-3-ol is sourced from PubChem (CID 104694066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).