ethane;2-methylpropane;1-methyl-1-propylcyclopropane

C13H30 — CID 156713855

IUPACethane;2-methylpropane;1-methyl-1-propylcyclopropane
SMILESCC.CC(C)C.CCCC1(C)CC1
InChIInChI=1S/C7H14.C4H10.C2H6/c1-3-4-7(2)5-6-7;1-4(2)3;1-2/h3-6H2,1-2H3;4H,1-3H3;1-2H3
InChIKeyKOBSMXKIUSQLPB-UHFFFAOYSA-N
MW186.38 g/mol
LogP5.28
Rot. Bonds2

About ethane;2-methylpropane;1-methyl-1-propylcyclopropane

ethane;2-methylpropane;1-methyl-1-propylcyclopropane (PubChem CID 156713855) has the molecular formula C13H30 and a molecular weight of 186.38 g/mol. Its IUPAC name is ethane;2-methylpropane;1-methyl-1-propylcyclopropane.

Molecular Properties

Compound Nameethane;2-methylpropane;1-methyl-1-propylcyclopropane
PubChem CID156713855
Molecular FormulaC13H30
Molecular Weight186.38 g/mol
Exact Mass186.23
IUPAC Nameethane;2-methylpropane;1-methyl-1-propylcyclopropane
SMILESCC.CC(C)C.CCCC1(C)CC1
InChIInChI=1S/C7H14.C4H10.C2H6/c1-3-4-7(2)5-6-7;1-4(2)3;1-2/h3-6H2,1-2H3;4H,1-3H3;1-2H3
InChIKeyKOBSMXKIUSQLPB-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500186.38
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,3-trimethyl-3-propylcyclopentane
CID 123680922
methanamine;1-methyl-1-propylcyclohexane
CID 143166123
1-methyl-1-pentylcyclopropane
CID 524644
(2R)-4-(1-methylcyclopropyl)butan-2-amine
CID 147194388
ethane;ethylcyclopentane;1-methyl-1-propylcyclohexane
CID 153335761
N-[2-(1-methylcyclopropyl)ethyl]propan-2-amine
CID 130702275
1-methyl-1-(3-methylhexyl)cyclohexane
CID 154522496
3-butyl-1,3-dimethylpyrrolidine;ethane;2-methylpropane
CID 170577967
3-methyl-3-propylpyrrolidine
CID 22393542
(3S)-3-methyl-3-propylpyrrolidine
CID 94411768
7-methyl-7-propylspiro[2.5]octane
CID 20725719
1-propan-2-yl-4,4-dipropylpiperidine
CID 89468851

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpropane;1-methyl-1-propylcyclopropane?
The IUPAC name of ethane;2-methylpropane;1-methyl-1-propylcyclopropane (CID 156713855) is ethane;2-methylpropane;1-methyl-1-propylcyclopropane.
What is the SMILES notation for ethane;2-methylpropane;1-methyl-1-propylcyclopropane?
The canonical SMILES for ethane;2-methylpropane;1-methyl-1-propylcyclopropane is CC.CC(C)C.CCCC1(C)CC1.
What is the InChIKey of ethane;2-methylpropane;1-methyl-1-propylcyclopropane?
The InChIKey is KOBSMXKIUSQLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C4H10.C2H6/c1-3-4-7(2)5-6-7;1-4(2)3;1-2/h3-6H2,1-2H3;4H,1-3H3;1-2H3.
What are the key properties of ethane;2-methylpropane;1-methyl-1-propylcyclopropane?
ethane;2-methylpropane;1-methyl-1-propylcyclopropane has a molecular weight of 186.38 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpropane;1-methyl-1-propylcyclopropane is sourced from PubChem (CID 156713855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).