[1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]cyclohexyl]methanol

C16H27NO — CID 112697777

IUPAC[1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]cyclohexyl]methanol
SMILESOCC1(CNCC2CC3C=CC2C3)CCCCC1
InChIInChI=1S/C16H27NO/c18-12-16(6-2-1-3-7-16)11-17-10-15-9-13-4-5-14(15)8-13/h4-5,13-15,17-18H,1-3,6-12H2
InChIKeyYIUXVMAVFBCDAK-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.73
Rot. Bonds5

About [1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]cyclohexyl]methanol

[1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]cyclohexyl]methanol (PubChem CID 112697777) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is [1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]cyclohexyl]methanol
PubChem CID112697777
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name[1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]cyclohexyl]methanol
SMILESOCC1(CNCC2CC3C=CC2C3)CCCCC1
InChIInChI=1S/C16H27NO/c18-12-16(6-2-1-3-7-16)11-17-10-15-9-13-4-5-14(15)8-13/h4-5,13-15,17-18H,1-3,6-12H2
InChIKeyYIUXVMAVFBCDAK-UHFFFAOYSA-N
XLogP2.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]cyclohexan-1-ol
CID 65106975
2-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]cyclohexan-1-ol
CID 81418645
2-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethanol
CID 7236700
2-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethanol
CID 98042869
2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethanol
CID 3154449
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)hydroxylamine
CID 13440364
3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propanoic acid
CID 43774822
3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propane-1,2-diol
CID 66176724
1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-2-ol
CID 65102612
[1-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]methyl]cyclohexyl]methanol
CID 81419716
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]butan-1-amine
CID 98118034
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline
CID 93281000

Frequently Asked Questions

What is the IUPAC name of [1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]cyclohexyl]methanol (CID 112697777) is [1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]cyclohexyl]methanol is OCC1(CNCC2CC3C=CC2C3)CCCCC1.
What is the InChIKey of [1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]cyclohexyl]methanol?
The InChIKey is YIUXVMAVFBCDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c18-12-16(6-2-1-3-7-16)11-17-10-15-9-13-4-5-14(15)8-13/h4-5,13-15,17-18H,1-3,6-12H2.
What are the key properties of [1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]cyclohexyl]methanol?
[1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]cyclohexyl]methanol has a molecular weight of 249.40 g/mol, XLogP of 2.73, 5 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]hept-5-enylmethylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 112697777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).