[1-amino-3-(6-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol

C22H35NO — CID 90343550

IUPAC[1-amino-3-(6-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol
SMILESCCCCCCC1CCc2cc(C3CCC(N)(CO)C3)ccc2C1
InChIInChI=1S/C22H35NO/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-22(23,15-21)16-24/h9-10,14,17,21,24H,2-8,11-13,15-16,23H2,1H3
InChIKeyBPMMYKAHRIEVDH-UHFFFAOYSA-N
MW329.53 g/mol
LogP4.72
Rot. Bonds7

About [1-amino-3-(6-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol

[1-amino-3-(6-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol (PubChem CID 90343550) has the molecular formula C22H35NO and a molecular weight of 329.53 g/mol. Its IUPAC name is [1-amino-3-(6-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-3-(6-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol
PubChem CID90343550
Molecular FormulaC22H35NO
Molecular Weight329.53 g/mol
Exact Mass329.27
IUPAC Name[1-amino-3-(6-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol
SMILESCCCCCCC1CCc2cc(C3CCC(N)(CO)C3)ccc2C1
InChIInChI=1S/C22H35NO/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-22(23,15-21)16-24/h9-10,14,17,21,24H,2-8,11-13,15-16,23H2,1H3
InChIKeyBPMMYKAHRIEVDH-UHFFFAOYSA-N
XLogP4.72
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.53
LogP ≤ 54.72
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

Bms-986104
CID 77050638
BMS-986104 derivative 24
CID 118877392
(R)-2-amino-2-((R)-6-octyl-1,2,3,4-tetrahydronaphthalen-2-yl)propyl dihydrogen phosphate
CID 25192005
((1R,3S)-1-amino-3-((R)-6-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl)methyl dihydrogen phosphate
CID 78321974
[(1R,3S)-1-amino-3-[(6R)-6-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl dihydrogen phosphate
CID 118877584
[(1R,3S)-1-amino-3-[(6R)-6-(5-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl dihydrogen phosphate
CID 118877603
2-amino-3-hydroxy-2-((R)-6-octyl-1,2,3,4-tetrahydronaphthalen-2-yl)propyl dihydrogen phosphate
CID 25192001
(R)-2-amino-2-((S)-6-octyl-1,2,3,4-tetrahydronaphthalen-2-yl)propyl dihydrogen phosphate
CID 46884020
((1R,3S)-1-amino-3-(6-(heptyloxy)-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl)methanol
CID 118877258
((1R,3S)-1-amino-3-((R)-6-((E)-hex-3-en-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl)methanol
CID 118877299
((1R,3S)-1-amino-3-((R)-6-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl)methanol
CID 118877312
[(1R,3S)-1-amino-3-(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol
CID 118877398

Frequently Asked Questions

What is the IUPAC name of [1-amino-3-(6-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol?
The IUPAC name of [1-amino-3-(6-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol (CID 90343550) is [1-amino-3-(6-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol.
What is the SMILES notation for [1-amino-3-(6-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol?
The canonical SMILES for [1-amino-3-(6-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol is CCCCCCC1CCc2cc(C3CCC(N)(CO)C3)ccc2C1.
What is the InChIKey of [1-amino-3-(6-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol?
The InChIKey is BPMMYKAHRIEVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-22(23,15-21)16-24/h9-10,14,17,21,24H,2-8,11-13,15-16,23H2,1H3.
What are the key properties of [1-amino-3-(6-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol?
[1-amino-3-(6-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol has a molecular weight of 329.53 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-(6-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol is sourced from PubChem (CID 90343550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).