(2-cyclobutyl-3-methylpentyl)benzene

C16H24 — CID 54503579

IUPAC(2-cyclobutyl-3-methylpentyl)benzene
SMILESCCC(C)C(Cc1ccccc1)C1CCC1
InChIInChI=1S/C16H24/c1-3-13(2)16(15-10-7-11-15)12-14-8-5-4-6-9-14/h4-6,8-9,13,15-16H,3,7,10-12H2,1-2H3
InChIKeyNAWUZGYKNCTBLG-UHFFFAOYSA-N
MW216.37 g/mol
LogP4.69
Rot. Bonds5

About (2-cyclobutyl-3-methylpentyl)benzene

(2-cyclobutyl-3-methylpentyl)benzene (PubChem CID 54503579) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is (2-cyclobutyl-3-methylpentyl)benzene.

Molecular Properties

Compound Name(2-cyclobutyl-3-methylpentyl)benzene
PubChem CID54503579
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name(2-cyclobutyl-3-methylpentyl)benzene
SMILESCCC(C)C(Cc1ccccc1)C1CCC1
InChIInChI=1S/C16H24/c1-3-13(2)16(15-10-7-11-15)12-14-8-5-4-6-9-14/h4-6,8-9,13,15-16H,3,7,10-12H2,1-2H3
InChIKeyNAWUZGYKNCTBLG-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N-(1-cyclobutylethyl)-1-phenylbutan-2-amine
CID 115716509
2-cyclohexylpropylbenzene
CID 15846297
N-(cyclobutylmethyl)-1-phenylbutan-2-amine
CID 79007195
(1S)-1-cyclobutyl-2-phenylethanamine;phosphane
CID 143108875
1-cyclobutyl-N-phenylmethoxypropan-1-amine
CID 130679166
N-(1-phenylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107448510
[(2S,3R)-3-amino-4-cyclohexyl-5-phenylpentan-2-yl]carbamic acid
CID 67189068
(1R)-1-cyclopentyl-2-phenylethanol
CID 39238299
(2R)-2-benzyl-3-methylpentan-1-ol
CID 15214035
1-cyclopentyl-2-phenylethanamine
CID 50988646
acetaldehyde;2-cyclopentylpropylbenzene;ethane
CID 170581057
2-cyclohexyl-4-phenylbutane-1,3-diamine
CID 20848425

Frequently Asked Questions

What is the IUPAC name of (2-cyclobutyl-3-methylpentyl)benzene?
The IUPAC name of (2-cyclobutyl-3-methylpentyl)benzene (CID 54503579) is (2-cyclobutyl-3-methylpentyl)benzene.
What is the SMILES notation for (2-cyclobutyl-3-methylpentyl)benzene?
The canonical SMILES for (2-cyclobutyl-3-methylpentyl)benzene is CCC(C)C(Cc1ccccc1)C1CCC1.
What is the InChIKey of (2-cyclobutyl-3-methylpentyl)benzene?
The InChIKey is NAWUZGYKNCTBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-3-13(2)16(15-10-7-11-15)12-14-8-5-4-6-9-14/h4-6,8-9,13,15-16H,3,7,10-12H2,1-2H3.
What are the key properties of (2-cyclobutyl-3-methylpentyl)benzene?
(2-cyclobutyl-3-methylpentyl)benzene has a molecular weight of 216.37 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutyl-3-methylpentyl)benzene is sourced from PubChem (CID 54503579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).