(3-methyl-2-propan-2-ylbutyl)cycloheptane

C15H30 — CID 123585668

IUPAC(3-methyl-2-propan-2-ylbutyl)cycloheptane
SMILESCC(C)C(CC1CCCCCC1)C(C)C
InChIInChI=1S/C15H30/c1-12(2)15(13(3)4)11-14-9-7-5-6-8-10-14/h12-15H,5-11H2,1-4H3
InChIKeyGZIPZGPCAPDQDX-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.28
Rot. Bonds4

About (3-methyl-2-propan-2-ylbutyl)cycloheptane

(3-methyl-2-propan-2-ylbutyl)cycloheptane (PubChem CID 123585668) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is (3-methyl-2-propan-2-ylbutyl)cycloheptane.

Molecular Properties

Compound Name(3-methyl-2-propan-2-ylbutyl)cycloheptane
PubChem CID123585668
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name(3-methyl-2-propan-2-ylbutyl)cycloheptane
SMILESCC(C)C(CC1CCCCCC1)C(C)C
InChIInChI=1S/C15H30/c1-12(2)15(13(3)4)11-14-9-7-5-6-8-10-14/h12-15H,5-11H2,1-4H3
InChIKeyGZIPZGPCAPDQDX-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (3-methyl-2-propan-2-ylbutyl)cycloheptane 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

3-(cyclopentylmethyl)-N,4-dimethylpentan-2-amine
CID 62915823
2,3-dimethylbutylcyclodecane
CID 123220792
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112
cyclopentane;iron;2-methylpropylcyclopentane
CID 172726896
(1-cyclopentyl-3-methylbutan-2-yl)cyclohexane
CID 143562846
(2R)-1-cyclohexyl-3-methylbutan-2-amine
CID 118964474
2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159402972
methane;2-methylpropylcyclopentane
CID 161254337
3-methylbutan-2-ylcyclohexane;bis(2-methylpropylcyclobutane);2-methylpropylcyclohexane
CID 161332116
(2S)-1-cyclohexyl-N,3-dimethylbutan-2-amine
CID 167019095
(1-cyclohexyl-2-methylpropyl)cyclohexane;ethane;2-methylpropylcyclohexane
CID 157285148

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-propan-2-ylbutyl)cycloheptane?
The IUPAC name of (3-methyl-2-propan-2-ylbutyl)cycloheptane (CID 123585668) is (3-methyl-2-propan-2-ylbutyl)cycloheptane.
What is the SMILES notation for (3-methyl-2-propan-2-ylbutyl)cycloheptane?
The canonical SMILES for (3-methyl-2-propan-2-ylbutyl)cycloheptane is CC(C)C(CC1CCCCCC1)C(C)C.
What is the InChIKey of (3-methyl-2-propan-2-ylbutyl)cycloheptane?
The InChIKey is GZIPZGPCAPDQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-12(2)15(13(3)4)11-14-9-7-5-6-8-10-14/h12-15H,5-11H2,1-4H3.
What are the key properties of (3-methyl-2-propan-2-ylbutyl)cycloheptane?
(3-methyl-2-propan-2-ylbutyl)cycloheptane has a molecular weight of 210.40 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-propan-2-ylbutyl)cycloheptane is sourced from PubChem (CID 123585668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).