1-(2,2-dimethylpropyl)-1-methyl-2-pentan-3-ylcyclopropane

C14H28 — CID 123698002

IUPAC1-(2,2-dimethylpropyl)-1-methyl-2-pentan-3-ylcyclopropane
SMILESCCC(CC)C1CC1(C)CC(C)(C)C
InChIInChI=1S/C14H28/c1-7-11(8-2)12-9-14(12,6)10-13(3,4)5/h11-12H,7-10H2,1-6H3
InChIKeyQAIKEVVKCMUHAB-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.89
Rot. Bonds4

About 1-(2,2-dimethylpropyl)-1-methyl-2-pentan-3-ylcyclopropane

1-(2,2-dimethylpropyl)-1-methyl-2-pentan-3-ylcyclopropane (PubChem CID 123698002) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-1-methyl-2-pentan-3-ylcyclopropane.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-1-methyl-2-pentan-3-ylcyclopropane
PubChem CID123698002
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1-(2,2-dimethylpropyl)-1-methyl-2-pentan-3-ylcyclopropane
SMILESCCC(CC)C1CC1(C)CC(C)(C)C
InChIInChI=1S/C14H28/c1-7-11(8-2)12-9-14(12,6)10-13(3,4)5/h11-12H,7-10H2,1-6H3
InChIKeyQAIKEVVKCMUHAB-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-tert-butyl-1-(2,2-dimethylpropyl)-1-methylcyclopropane
CID 123830542
1-ethyl-1-methyl-2-propan-2-ylcyclopropane
CID 91445155
2-butan-2-yl-1-methyl-1-(2-methylbut-3-en-2-yl)cyclopropane
CID 123282497
1-ethyl-1-methyl-2-(2,2,5-trimethylnonan-4-yl)cyclopropane
CID 123760958
[1-(aminomethyl)-2-pentan-3-ylcyclopropyl]methanol
CID 63043808
6-(2,2-dimethylpropyl)-1-ethyl-2,2,6-trimethylbicyclo[3.2.0]heptane
CID 123630541
cis-(1S,2R)-1-(chloromethyl)-2-pentan-3-ylcyclopropane-1-carbonitrile
CID 11309939
5,5-dimethyl-4-pentan-3-ylpyrrolidin-2-one
CID 66108073
2-butan-2-yl-1-methyl-1-pentylcyclopropane
CID 123764144
(1S)-1-(2,2-dimethylcyclopropyl)propan-1-amine
CID 107924727
1-(2,2-dimethylpropyl)-2-methylcyclopropan-1-amine
CID 79333729
1-butyl-1-methyl-2-propan-2-ylcyclopropane
CID 91325328

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-1-methyl-2-pentan-3-ylcyclopropane?
The IUPAC name of 1-(2,2-dimethylpropyl)-1-methyl-2-pentan-3-ylcyclopropane (CID 123698002) is 1-(2,2-dimethylpropyl)-1-methyl-2-pentan-3-ylcyclopropane.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-1-methyl-2-pentan-3-ylcyclopropane?
The canonical SMILES for 1-(2,2-dimethylpropyl)-1-methyl-2-pentan-3-ylcyclopropane is CCC(CC)C1CC1(C)CC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropyl)-1-methyl-2-pentan-3-ylcyclopropane?
The InChIKey is QAIKEVVKCMUHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-7-11(8-2)12-9-14(12,6)10-13(3,4)5/h11-12H,7-10H2,1-6H3.
What are the key properties of 1-(2,2-dimethylpropyl)-1-methyl-2-pentan-3-ylcyclopropane?
1-(2,2-dimethylpropyl)-1-methyl-2-pentan-3-ylcyclopropane has a molecular weight of 196.38 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-1-methyl-2-pentan-3-ylcyclopropane is sourced from PubChem (CID 123698002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).