2-[(1R,2R)-2-butylcyclopropyl]naphthalene

C17H20 — CID 102005653

IUPAC2-[(1R,2R)-2-butylcyclopropyl]naphthalene
SMILESCCCC[C@@H]1C[C@H]1c1ccc2ccccc2c1
InChIInChI=1S/C17H20/c1-2-3-6-15-12-17(15)16-10-9-13-7-4-5-8-14(13)11-16/h4-5,7-11,15,17H,2-3,6,12H2,1H3/t15-,17-/m1/s1
InChIKeyIUKANNQFPOWYRW-NVXWUHKLSA-N
MW224.35 g/mol
LogP5.13
Rot. Bonds4

About 2-[(1R,2R)-2-butylcyclopropyl]naphthalene

2-[(1R,2R)-2-butylcyclopropyl]naphthalene (PubChem CID 102005653) has the molecular formula C17H20 and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-[(1R,2R)-2-butylcyclopropyl]naphthalene.

Molecular Properties

Compound Name2-[(1R,2R)-2-butylcyclopropyl]naphthalene
PubChem CID102005653
Molecular FormulaC17H20
Molecular Weight224.35 g/mol
Exact Mass224.16
IUPAC Name2-[(1R,2R)-2-butylcyclopropyl]naphthalene
SMILESCCCC[C@@H]1C[C@H]1c1ccc2ccccc2c1
InChIInChI=1S/C17H20/c1-2-3-6-15-12-17(15)16-10-9-13-7-4-5-8-14(13)11-16/h4-5,7-11,15,17H,2-3,6,12H2,1H3/t15-,17-/m1/s1
InChIKeyIUKANNQFPOWYRW-NVXWUHKLSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.35
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(1S,2S)-2-butylcyclopropyl]-3-methoxybenzene
CID 102003898
(2-naphthalen-2-ylcyclopropyl)methanamine;hydrochloride
CID 68926193
[(1R,2R)-2-hexylcyclopropyl]benzene
CID 100977396
N-[(2-naphthalen-2-ylcyclopropyl)methyl]propan-2-amine
CID 62708560
trans-(1R,2S)-2-naphthalen-2-ylcyclopropan-1-amine
CID 51888201
4-methyl-2-naphthalen-2-ylcyclohexan-1-amine
CID 81013945
(2R)-2-naphthalen-2-yloxirane
CID 10877557
2-[(1S,2S)-4,4-dimethyl-2-naphthalen-2-ylcyclopentyl]naphthalene
CID 132563382
2-ethyl-3-naphthalen-2-ylpyrrolidine
CID 62354972
2,6-dinaphthalen-2-yl-1-octyl-4-phenylphosphinane
CID 22237095
cis-ethyl (1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylate
CID 15758689
1-bromo-3-(2-propylcyclopropyl)benzene
CID 142794167

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-2-butylcyclopropyl]naphthalene?
The IUPAC name of 2-[(1R,2R)-2-butylcyclopropyl]naphthalene (CID 102005653) is 2-[(1R,2R)-2-butylcyclopropyl]naphthalene.
What is the SMILES notation for 2-[(1R,2R)-2-butylcyclopropyl]naphthalene?
The canonical SMILES for 2-[(1R,2R)-2-butylcyclopropyl]naphthalene is CCCC[C@@H]1C[C@H]1c1ccc2ccccc2c1.
What is the InChIKey of 2-[(1R,2R)-2-butylcyclopropyl]naphthalene?
The InChIKey is IUKANNQFPOWYRW-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H20/c1-2-3-6-15-12-17(15)16-10-9-13-7-4-5-8-14(13)11-16/h4-5,7-11,15,17H,2-3,6,12H2,1H3/t15-,17-/m1/s1.
What are the key properties of 2-[(1R,2R)-2-butylcyclopropyl]naphthalene?
2-[(1R,2R)-2-butylcyclopropyl]naphthalene has a molecular weight of 224.35 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-2-butylcyclopropyl]naphthalene is sourced from PubChem (CID 102005653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).