(1R)-3-[6-(2-butoxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-propan-2-ylcyclopentan-1-amine;methanol

C25H43NO3 — CID 145021641

IUPAC(1R)-3-[6-(2-butoxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-propan-2-ylcyclopentan-1-amine;methanol
SMILESCCCCOCCOC1CCc2cc(C3CC[C@@H](NC(C)C)C3)ccc2C1.CO
InChIInChI=1S/C24H39NO2.CH4O/c1-4-5-12-26-13-14-27-24-11-9-20-15-19(6-7-22(20)17-24)21-8-10-23(16-21)25-18(2)3;1-2/h6-7,15,18,21,23-25H,4-5,8-14,16-17H2,1-3H3;2H,1H3/t21?,23-,24?;/m1./s1
InChIKeyISDGZHMADZFRCG-GBONEKRQSA-N
MW405.62 g/mol
LogP4.62
Rot. Bonds10

About (1R)-3-[6-(2-butoxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-propan-2-ylcyclopentan-1-amine;methanol

(1R)-3-[6-(2-butoxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-propan-2-ylcyclopentan-1-amine;methanol (PubChem CID 145021641) has the molecular formula C25H43NO3 and a molecular weight of 405.62 g/mol. Its IUPAC name is (1R)-3-[6-(2-butoxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-propan-2-ylcyclopentan-1-amine;methanol.

Molecular Properties

Compound Name(1R)-3-[6-(2-butoxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-propan-2-ylcyclopentan-1-amine;methanol
PubChem CID145021641
Molecular FormulaC25H43NO3
Molecular Weight405.62 g/mol
Exact Mass405.32
IUPAC Name(1R)-3-[6-(2-butoxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-propan-2-ylcyclopentan-1-amine;methanol
SMILESCCCCOCCOC1CCc2cc(C3CC[C@@H](NC(C)C)C3)ccc2C1.CO
InChIInChI=1S/C24H39NO2.CH4O/c1-4-5-12-26-13-14-27-24-11-9-20-15-19(6-7-22(20)17-24)21-8-10-23(16-21)25-18(2)3;1-2/h6-7,15,18,21,23-25H,4-5,8-14,16-17H2,1-3H3;2H,1H3/t21?,23-,24?;/m1./s1
InChIKeyISDGZHMADZFRCG-GBONEKRQSA-N
XLogP4.62
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.62
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(6-butoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-ethyl-1,2,3,4-tetrahydronaphthalene
CID 139865642
[(1S,3S)-1-amino-3-(6-pentoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol
CID 118877560
2-methyl-6-(6-pentoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139864800
[(1S)-3-[(6S)-6-[(E)-hex-2-enoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl carbamate
CID 145021507
2-butyl-6-(4-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 20500349
2-hexyl-6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865964
6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 139865826
2-butyl-6-(6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865614
3-(2-butoxyethoxy)-N-methylcyclopentan-1-amine
CID 79642433
2-ethyl-6-(4-hexylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 20500147
[(1R,3S)-1-amino-3-[(6S)-6-[2-(2-methylphenoxy)ethoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 175066140
6-(4-butylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 20500738

Frequently Asked Questions

What is the IUPAC name of (1R)-3-[6-(2-butoxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-propan-2-ylcyclopentan-1-amine;methanol?
The IUPAC name of (1R)-3-[6-(2-butoxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-propan-2-ylcyclopentan-1-amine;methanol (CID 145021641) is (1R)-3-[6-(2-butoxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-propan-2-ylcyclopentan-1-amine;methanol.
What is the SMILES notation for (1R)-3-[6-(2-butoxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-propan-2-ylcyclopentan-1-amine;methanol?
The canonical SMILES for (1R)-3-[6-(2-butoxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-propan-2-ylcyclopentan-1-amine;methanol is CCCCOCCOC1CCc2cc(C3CC[C@@H](NC(C)C)C3)ccc2C1.CO.
What is the InChIKey of (1R)-3-[6-(2-butoxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-propan-2-ylcyclopentan-1-amine;methanol?
The InChIKey is ISDGZHMADZFRCG-GBONEKRQSA-N. The full InChI is InChI=1S/C24H39NO2.CH4O/c1-4-5-12-26-13-14-27-24-11-9-20-15-19(6-7-22(20)17-24)21-8-10-23(16-21)25-18(2)3;1-2/h6-7,15,18,21,23-25H,4-5,8-14,16-17H2,1-3H3;2H,1H3/t21?,23-,24?;/m1./s1.
What are the key properties of (1R)-3-[6-(2-butoxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-propan-2-ylcyclopentan-1-amine;methanol?
(1R)-3-[6-(2-butoxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-propan-2-ylcyclopentan-1-amine;methanol has a molecular weight of 405.62 g/mol, XLogP of 4.62, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-[6-(2-butoxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-propan-2-ylcyclopentan-1-amine;methanol is sourced from PubChem (CID 145021641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).