1-methyl-2-pentyl-3-propylcyclopropane

C12H24 — CID 123315526

IUPAC1-methyl-2-pentyl-3-propylcyclopropane
SMILESCCCCCC1C(C)C1CCC
InChIInChI=1S/C12H24/c1-4-6-7-9-12-10(3)11(12)8-5-2/h10-12H,4-9H2,1-3H3
InChIKeyZLULSYQBFRCNNN-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.25
Rot. Bonds6

About 1-methyl-2-pentyl-3-propylcyclopropane

1-methyl-2-pentyl-3-propylcyclopropane (PubChem CID 123315526) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1-methyl-2-pentyl-3-propylcyclopropane.

Molecular Properties

Compound Name1-methyl-2-pentyl-3-propylcyclopropane
PubChem CID123315526
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1-methyl-2-pentyl-3-propylcyclopropane
SMILESCCCCCC1C(C)C1CCC
InChIInChI=1S/C12H24/c1-4-6-7-9-12-10(3)11(12)8-5-2/h10-12H,4-9H2,1-3H3
InChIKeyZLULSYQBFRCNNN-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-methyl-2-pentyl-3-propylcyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-dimethyl-3-pentylcyclopropane
CID 524654
1,2-dimethyl-3-pentylcyclopropane;ethane
CID 143707793
1-methyl-2,3-dipentyl-4-propan-2-ylcyclobutane
CID 123185482
1-heptyl-2,3,4,5-tetramethylcyclopentane
CID 59076832
3-(3-ethyl-2,5-dimethyl-4-propylcyclopentyl)propan-1-amine
CID 170028029
1,3-dimethyl-2-pentylcyclobutane
CID 91222798
2,4-dimethyl-3-octyl-5-propylthiolane
CID 170050469
1,2,3,4-tetramethyl-5-propylcyclopentane
CID 23231337
1,2,3-trimethyl-4-propylcyclobutane
CID 90876457
(4S)-2-methyl-3-pentyl-5-oxabicyclo[2.1.1]hexane
CID 147411866
1-butyl-2-methyl-3-propan-2-ylcyclopropane
CID 91545202
3-methyl-2,4-dipropylbicyclo[3.1.0]hexane
CID 21354381

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-pentyl-3-propylcyclopropane?
The IUPAC name of 1-methyl-2-pentyl-3-propylcyclopropane (CID 123315526) is 1-methyl-2-pentyl-3-propylcyclopropane.
What is the SMILES notation for 1-methyl-2-pentyl-3-propylcyclopropane?
The canonical SMILES for 1-methyl-2-pentyl-3-propylcyclopropane is CCCCCC1C(C)C1CCC.
What is the InChIKey of 1-methyl-2-pentyl-3-propylcyclopropane?
The InChIKey is ZLULSYQBFRCNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-4-6-7-9-12-10(3)11(12)8-5-2/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-methyl-2-pentyl-3-propylcyclopropane?
1-methyl-2-pentyl-3-propylcyclopropane has a molecular weight of 168.32 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-pentyl-3-propylcyclopropane is sourced from PubChem (CID 123315526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).