[(1S,2S,4S)-2-(hexadecylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol

C24H45NO — CID 14827992

IUPAC[(1S,2S,4S)-2-(hexadecylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol
SMILESCCCCCCCCCCCCCCCCN[C@@]1(CO)C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C24H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-24(21-26)20-22-16-17-23(24)19-22/h16-17,22-23,25-26H,2-15,18-21H2,1H3/t22-,23+,24+/m0/s1
InChIKeyHWXWHIVXDVGDPL-RBZQAINGSA-N
MW363.63 g/mol
LogP6.38
Rot. Bonds17

About [(1S,2S,4S)-2-(hexadecylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol

[(1S,2S,4S)-2-(hexadecylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol (PubChem CID 14827992) has the molecular formula C24H45NO and a molecular weight of 363.63 g/mol. Its IUPAC name is [(1S,2S,4S)-2-(hexadecylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol.

Molecular Properties

Compound Name[(1S,2S,4S)-2-(hexadecylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol
PubChem CID14827992
Molecular FormulaC24H45NO
Molecular Weight363.63 g/mol
Exact Mass363.35
IUPAC Name[(1S,2S,4S)-2-(hexadecylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol
SMILESCCCCCCCCCCCCCCCCN[C@@]1(CO)C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C24H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-24(21-26)20-22-16-17-23(24)19-22/h16-17,22-23,25-26H,2-15,18-21H2,1H3/t22-,23+,24+/m0/s1
InChIKeyHWXWHIVXDVGDPL-RBZQAINGSA-N
XLogP6.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.63
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Hexadecylamino-2-hydroxymethylnorbornene
CID 131822
(1R)-1-[(4S,5S)-6-azaspiro[4.5]dec-8-en-4-yl]ethanol
CID 102084980
[(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
2-(2-Bicyclo[2.2.1]hept-5-enylamino)hexan-1-ol
CID 20649891
2-(2-Bicyclo[2.2.1]hept-5-enylmethylamino)hexan-1-ol
CID 20649894
[3-(Methylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol
CID 13510369
[(1S,2S,3R,4R)-3-(methylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol
CID 13510371
CID 14827993
CID 14827993
[(1R,2R,3R,4S)-3-(hexadecylamino)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
CID 14828007
[(1R,2R,4R)-2-(2-methylpropylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol
CID 15173138

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,4S)-2-(hexadecylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The IUPAC name of [(1S,2S,4S)-2-(hexadecylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol (CID 14827992) is [(1S,2S,4S)-2-(hexadecylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol.
What is the SMILES notation for [(1S,2S,4S)-2-(hexadecylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The canonical SMILES for [(1S,2S,4S)-2-(hexadecylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol is CCCCCCCCCCCCCCCCN[C@@]1(CO)C[C@H]2C=C[C@@H]1C2.
What is the InChIKey of [(1S,2S,4S)-2-(hexadecylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The InChIKey is HWXWHIVXDVGDPL-RBZQAINGSA-N. The full InChI is InChI=1S/C24H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-24(21-26)20-22-16-17-23(24)19-22/h16-17,22-23,25-26H,2-15,18-21H2,1H3/t22-,23+,24+/m0/s1.
What are the key properties of [(1S,2S,4S)-2-(hexadecylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol?
[(1S,2S,4S)-2-(hexadecylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol has a molecular weight of 363.63 g/mol, XLogP of 6.38, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,4S)-2-(hexadecylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol is sourced from PubChem (CID 14827992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).