1-(3,4-dimethylpentan-2-yl)-4-propylcycloheptane

C17H34 — CID 123921809

IUPAC1-(3,4-dimethylpentan-2-yl)-4-propylcycloheptane
SMILESCCCC1CCCC(C(C)C(C)C(C)C)CC1
InChIInChI=1S/C17H34/c1-6-8-16-9-7-10-17(12-11-16)15(5)14(4)13(2)3/h13-17H,6-12H2,1-5H3
InChIKeyDFUGSHVXTYAOOW-UHFFFAOYSA-N
MW238.46 g/mol
LogP5.91
Rot. Bonds5

About 1-(3,4-dimethylpentan-2-yl)-4-propylcycloheptane

1-(3,4-dimethylpentan-2-yl)-4-propylcycloheptane (PubChem CID 123921809) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 1-(3,4-dimethylpentan-2-yl)-4-propylcycloheptane.

Molecular Properties

Compound Name1-(3,4-dimethylpentan-2-yl)-4-propylcycloheptane
PubChem CID123921809
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name1-(3,4-dimethylpentan-2-yl)-4-propylcycloheptane
SMILESCCCC1CCCC(C(C)C(C)C(C)C)CC1
InChIInChI=1S/C17H34/c1-6-8-16-9-7-10-17(12-11-16)15(5)14(4)13(2)3/h13-17H,6-12H2,1-5H3
InChIKeyDFUGSHVXTYAOOW-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-4-propylcycloheptan-1-amine
CID 113457752
4-propan-2-yl-N-(4-propylcyclohexyl)cycloheptan-1-amine
CID 65091606
(3-ethylcyclohexyl)-(4-propylcyclohexyl)methanol
CID 65423709
1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
CID 70430254
propylcyclotetradecane
CID 90991550
2-cyclopentyl-1-(4-propylcyclohexyl)ethanamine
CID 65424909
1-(3,4-dimethylpentan-2-yl)-4-methylcyclohexane
CID 123566081
1-methyl-4-propylcycloheptane
CID 90967653
1-methyl-5-propylcyclononane
CID 54361658
N-cyclobutyl-4-propylcycloheptan-1-amine
CID 65091278
hydrazine;propylcyclobutane;hydrochloride
CID 18995287
3,4,5-trimethylhexan-2-ylcyclopropane
CID 91122499

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpentan-2-yl)-4-propylcycloheptane?
The IUPAC name of 1-(3,4-dimethylpentan-2-yl)-4-propylcycloheptane (CID 123921809) is 1-(3,4-dimethylpentan-2-yl)-4-propylcycloheptane.
What is the SMILES notation for 1-(3,4-dimethylpentan-2-yl)-4-propylcycloheptane?
The canonical SMILES for 1-(3,4-dimethylpentan-2-yl)-4-propylcycloheptane is CCCC1CCCC(C(C)C(C)C(C)C)CC1.
What is the InChIKey of 1-(3,4-dimethylpentan-2-yl)-4-propylcycloheptane?
The InChIKey is DFUGSHVXTYAOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-6-8-16-9-7-10-17(12-11-16)15(5)14(4)13(2)3/h13-17H,6-12H2,1-5H3.
What are the key properties of 1-(3,4-dimethylpentan-2-yl)-4-propylcycloheptane?
1-(3,4-dimethylpentan-2-yl)-4-propylcycloheptane has a molecular weight of 238.46 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylpentan-2-yl)-4-propylcycloheptane is sourced from PubChem (CID 123921809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).