ethane;7-methyl-4,5,6,7-tetrahydro-2H-indole;propane

C14H27N — CID 142124043

IUPACethane;7-methyl-4,5,6,7-tetrahydro-2H-indole;propane
SMILESCC.CC1CCCC2=CCN=C21.CCC
InChIInChI=1S/C9H13N.C3H8.C2H6/c1-7-3-2-4-8-5-6-10-9(7)8;1-3-2;1-2/h5,7H,2-4,6H2,1H3;3H2,1-2H3;1-2H3
InChIKeyPMDNKCCREDSPRF-UHFFFAOYSA-N
MW209.38 g/mol
LogP4.63
Rot. Bonds

About ethane;7-methyl-4,5,6,7-tetrahydro-2H-indole;propane

ethane;7-methyl-4,5,6,7-tetrahydro-2H-indole;propane (PubChem CID 142124043) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is ethane;7-methyl-4,5,6,7-tetrahydro-2H-indole;propane.

Molecular Properties

Compound Nameethane;7-methyl-4,5,6,7-tetrahydro-2H-indole;propane
PubChem CID142124043
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Nameethane;7-methyl-4,5,6,7-tetrahydro-2H-indole;propane
SMILESCC.CC1CCCC2=CCN=C21.CCC
InChIInChI=1S/C9H13N.C3H8.C2H6/c1-7-3-2-4-8-5-6-10-9(7)8;1-3-2;1-2/h5,7H,2-4,6H2,1H3;3H2,1-2H3;1-2H3
InChIKeyPMDNKCCREDSPRF-UHFFFAOYSA-N
XLogP4.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine
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(1Z)-3,5,5-Trimethyl-N-(prop-2-en-1-yl)cyclohex-2-en-1-imine
CID 238062
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CID 12134565
4,5-di(propan-2-yl)-2H-pyrrole
CID 22891060
2-methyl-3,3a,4,5-tetrahydro-2H-indole
CID 53955660
2,3,5-tri(propan-2-yl)-2H-pyrrole
CID 58164648
2,4,5-tri(propan-2-yl)-2H-pyrrole
CID 58164706
4-methyl-5-propan-2-yl-2H-pyrrole
CID 58318552
4-methyl-2,5-di(propan-2-yl)-2H-pyrrole
CID 58402716

Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-4,5,6,7-tetrahydro-2H-indole;propane?
The IUPAC name of ethane;7-methyl-4,5,6,7-tetrahydro-2H-indole;propane (CID 142124043) is ethane;7-methyl-4,5,6,7-tetrahydro-2H-indole;propane.
What is the SMILES notation for ethane;7-methyl-4,5,6,7-tetrahydro-2H-indole;propane?
The canonical SMILES for ethane;7-methyl-4,5,6,7-tetrahydro-2H-indole;propane is CC.CC1CCCC2=CCN=C21.CCC.
What is the InChIKey of ethane;7-methyl-4,5,6,7-tetrahydro-2H-indole;propane?
The InChIKey is PMDNKCCREDSPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C3H8.C2H6/c1-7-3-2-4-8-5-6-10-9(7)8;1-3-2;1-2/h5,7H,2-4,6H2,1H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;7-methyl-4,5,6,7-tetrahydro-2H-indole;propane?
ethane;7-methyl-4,5,6,7-tetrahydro-2H-indole;propane has a molecular weight of 209.38 g/mol, XLogP of 4.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-4,5,6,7-tetrahydro-2H-indole;propane is sourced from PubChem (CID 142124043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).