2-tert-butyl-1-propylbicyclo[2.2.1]heptane

C14H26 — CID 140891046

IUPAC2-tert-butyl-1-propylbicyclo[2.2.1]heptane
SMILESCCCC12CCC(CC1C(C)(C)C)C2
InChIInChI=1S/C14H26/c1-5-7-14-8-6-11(10-14)9-12(14)13(2,3)4/h11-12H,5-10H2,1-4H3
InChIKeyRMJXWRBBQMQIQO-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.64
Rot. Bonds2

About 2-tert-butyl-1-propylbicyclo[2.2.1]heptane

2-tert-butyl-1-propylbicyclo[2.2.1]heptane (PubChem CID 140891046) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 2-tert-butyl-1-propylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-tert-butyl-1-propylbicyclo[2.2.1]heptane
PubChem CID140891046
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name2-tert-butyl-1-propylbicyclo[2.2.1]heptane
SMILESCCCC12CCC(CC1C(C)(C)C)C2
InChIInChI=1S/C14H26/c1-5-7-14-8-6-11(10-14)9-12(14)13(2,3)4/h11-12H,5-10H2,1-4H3
InChIKeyRMJXWRBBQMQIQO-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-2-propylbicyclo[2.2.1]heptane
CID 20587119
1-propyladamantan-2-amine
CID 141138737
2-tert-butyl-1-propylcyclohexan-1-amine
CID 43809442
(1S,2R,4S)-1-(chloromethyl)bicyclo[2.2.1]heptan-2-ol
CID 55303591
1-(2-methylpentan-2-yl)bicyclo[2.2.1]heptane
CID 123762100
1-pentylbicyclo[2.2.2]octane
CID 13184608
4-butyl-8-methyl-1-propylbicyclo[8.1.0]undecane
CID 91241512
(2S)-2-cyclohexyl-3-propyladamantan-1-amine
CID 90742257
1-propylbicyclo[3.3.1]nonane
CID 23320022
2-(3-tricyclo[4.3.1.13,8]undecanyl)propan-2-amine
CID 3010150
4-chloro-1-cyclohexyl-1-propylcyclohexane
CID 66776581
3-ethyl-3-methylbicyclo[4.2.1]nonane
CID 146888637

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-propylbicyclo[2.2.1]heptane?
The IUPAC name of 2-tert-butyl-1-propylbicyclo[2.2.1]heptane (CID 140891046) is 2-tert-butyl-1-propylbicyclo[2.2.1]heptane.
What is the SMILES notation for 2-tert-butyl-1-propylbicyclo[2.2.1]heptane?
The canonical SMILES for 2-tert-butyl-1-propylbicyclo[2.2.1]heptane is CCCC12CCC(CC1C(C)(C)C)C2.
What is the InChIKey of 2-tert-butyl-1-propylbicyclo[2.2.1]heptane?
The InChIKey is RMJXWRBBQMQIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-5-7-14-8-6-11(10-14)9-12(14)13(2,3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-tert-butyl-1-propylbicyclo[2.2.1]heptane?
2-tert-butyl-1-propylbicyclo[2.2.1]heptane has a molecular weight of 194.36 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-propylbicyclo[2.2.1]heptane is sourced from PubChem (CID 140891046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).