1-(2,3-dimethylbutyl)-1-methyl-3-(2-methylcyclopropyl)cyclopentane

C16H30 — CID 163796693

IUPAC1-(2,3-dimethylbutyl)-1-methyl-3-(2-methylcyclopropyl)cyclopentane
SMILESCC(C)C(C)CC1(C)CCC(C2CC2C)C1
InChIInChI=1S/C16H30/c1-11(2)13(4)9-16(5)7-6-14(10-16)15-8-12(15)3/h11-15H,6-10H2,1-5H3
InChIKeyNBKWJQKCHLBJHB-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.13
Rot. Bonds4

About 1-(2,3-dimethylbutyl)-1-methyl-3-(2-methylcyclopropyl)cyclopentane

1-(2,3-dimethylbutyl)-1-methyl-3-(2-methylcyclopropyl)cyclopentane (PubChem CID 163796693) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 1-(2,3-dimethylbutyl)-1-methyl-3-(2-methylcyclopropyl)cyclopentane.

Molecular Properties

Compound Name1-(2,3-dimethylbutyl)-1-methyl-3-(2-methylcyclopropyl)cyclopentane
PubChem CID163796693
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name1-(2,3-dimethylbutyl)-1-methyl-3-(2-methylcyclopropyl)cyclopentane
SMILESCC(C)C(C)CC1(C)CCC(C2CC2C)C1
InChIInChI=1S/C16H30/c1-11(2)13(4)9-16(5)7-6-14(10-16)15-8-12(15)3/h11-15H,6-10H2,1-5H3
InChIKeyNBKWJQKCHLBJHB-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-1-methyl-3-(2-methylcyclopropyl)cyclobutane
CID 123695145
[10-(aminomethyl)-4,10-dimethyl-4-tricyclo[6.3.1.02,7]dodecanyl]methanamine
CID 166919292
1-ethyl-1,3-dimethyl-4-propan-2-ylcyclohexane
CID 158729165
1-(2,3-dimethylbutyl)-2-ethyl-1-methylcyclopropane
CID 123895340
3-methyl-3-propylbicyclo[4.2.0]octane
CID 148753251
3-methyl-3-(2-methylbutyl)cyclopentan-1-amine
CID 116538708
1-(3,4-dimethylpentyl)-1,3-dimethylcyclobutane;ethane
CID 166459720
N,3-dimethyl-3-(2-methylbutyl)cyclopentan-1-amine
CID 116539017
1,2-dimethyl-3-(2-methylcyclopropyl)-1-(2-methylpentan-3-yl)cyclohexane
CID 91806901
1,3-dimethyl-1-(3-methylbutyl)cyclopentane
CID 91534929
8-[[5-ethyl-5-methyl-2-(3-methylbutan-2-yl)cyclohexyl]methyl]-3-methylbicyclo[4.2.0]octane
CID 123480444
[(1S,3R,4R)-1,3,4-trimethylcyclohexyl]methanol
CID 129322383

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbutyl)-1-methyl-3-(2-methylcyclopropyl)cyclopentane?
The IUPAC name of 1-(2,3-dimethylbutyl)-1-methyl-3-(2-methylcyclopropyl)cyclopentane (CID 163796693) is 1-(2,3-dimethylbutyl)-1-methyl-3-(2-methylcyclopropyl)cyclopentane.
What is the SMILES notation for 1-(2,3-dimethylbutyl)-1-methyl-3-(2-methylcyclopropyl)cyclopentane?
The canonical SMILES for 1-(2,3-dimethylbutyl)-1-methyl-3-(2-methylcyclopropyl)cyclopentane is CC(C)C(C)CC1(C)CCC(C2CC2C)C1.
What is the InChIKey of 1-(2,3-dimethylbutyl)-1-methyl-3-(2-methylcyclopropyl)cyclopentane?
The InChIKey is NBKWJQKCHLBJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-11(2)13(4)9-16(5)7-6-14(10-16)15-8-12(15)3/h11-15H,6-10H2,1-5H3.
What are the key properties of 1-(2,3-dimethylbutyl)-1-methyl-3-(2-methylcyclopropyl)cyclopentane?
1-(2,3-dimethylbutyl)-1-methyl-3-(2-methylcyclopropyl)cyclopentane has a molecular weight of 222.42 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 1-(2,3-dimethylbutyl)-1-methyl-3-(2-methylcyclopropyl)cyclopentane is sourced from PubChem (CID 163796693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).