2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)hexan-1-ol

C14H25NO — CID 20649894

IUPAC2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)hexan-1-ol
SMILESCCCCC(CO)NCC1CC2C=CC1C2
InChIInChI=1S/C14H25NO/c1-2-3-4-14(10-16)15-9-13-8-11-5-6-12(13)7-11/h5-6,11-16H,2-4,7-10H2,1H3
InChIKeyHVBCXEJPLPEVIX-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.34
Rot. Bonds7

About 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)hexan-1-ol

2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)hexan-1-ol (PubChem CID 20649894) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)hexan-1-ol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)hexan-1-ol
PubChem CID20649894
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)hexan-1-ol
SMILESCCCCC(CO)NCC1CC2C=CC1C2
InChIInChI=1S/C14H25NO/c1-2-3-4-14(10-16)15-9-13-8-11-5-6-12(13)7-11/h5-6,11-16H,2-4,7-10H2,1H3
InChIKeyHVBCXEJPLPEVIX-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.34
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

2-Hexadecylamino-2-hydroxymethylnorbornene
CID 131822
2-[(Bicyclo[2.2.1]hept-5-en-2-ylmethyl)-amino]-ethanol
CID 3154449
2-(Cyclohex-3-en-1-ylmethylamino)-2-methylpentan-1-ol
CID 75387507
[(1R,2R,3S,4S)-3-(methylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol
CID 12076012
[(1S,2R,3S,4R)-3-(methylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol
CID 13510370
[3-(Hexadecylamino)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
CID 14828004
1-(2-Bicyclo[2.2.1]hept-5-enylamino)hexan-2-ol
CID 20649851
1-(2-Bicyclo[2.2.1]hept-5-enylmethylamino)hexan-2-ol
CID 20649856
2-(2-Bicyclo[2.2.1]hept-5-enylamino)hexan-1-ol
CID 20649891
2-[(5,6-Diethylcyclohex-3-en-1-yl)amino]ethanol
CID 53678619
[(1S)-2,3,3a,4,7,7a-hexahydro-1H-isoindol-1-yl]methanol
CID 58907279
[(1S,3aR,7R,7aS)-7-methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-1-yl]methanol
CID 67518732

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)hexan-1-ol?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)hexan-1-ol (CID 20649894) is 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)hexan-1-ol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)hexan-1-ol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)hexan-1-ol is CCCCC(CO)NCC1CC2C=CC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)hexan-1-ol?
The InChIKey is HVBCXEJPLPEVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-3-4-14(10-16)15-9-13-8-11-5-6-12(13)7-11/h5-6,11-16H,2-4,7-10H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)hexan-1-ol?
2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)hexan-1-ol has a molecular weight of 223.36 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)hexan-1-ol is sourced from PubChem (CID 20649894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).