3-ethyl-7-methylpentacyclo[7.5.1.110,14.05,12.05,15]hexadecan-3-amine

C19H31N — CID 135208316

IUPAC3-ethyl-7-methylpentacyclo[7.5.1.110,14.05,12.05,15]hexadecan-3-amine
SMILESCCC1(N)CC2C3CC4CC(C3)C3(CC(C)CC4C23)C1
InChIInChI=1S/C19H31N/c1-3-18(20)9-16-13-5-12-6-14(7-13)19(10-18)8-11(2)4-15(12)17(16)19/h11-17H,3-10,20H2,1-2H3
InChIKeyLFWUFSUCGDHADX-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.21
Rot. Bonds1

About 3-ethyl-7-methylpentacyclo[7.5.1.110,14.05,12.05,15]hexadecan-3-amine

3-ethyl-7-methylpentacyclo[7.5.1.110,14.05,12.05,15]hexadecan-3-amine (PubChem CID 135208316) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 3-ethyl-7-methylpentacyclo[7.5.1.110,14.05,12.05,15]hexadecan-3-amine.

Molecular Properties

Compound Name3-ethyl-7-methylpentacyclo[7.5.1.110,14.05,12.05,15]hexadecan-3-amine
PubChem CID135208316
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name3-ethyl-7-methylpentacyclo[7.5.1.110,14.05,12.05,15]hexadecan-3-amine
SMILESCCC1(N)CC2C3CC4CC(C3)C3(CC(C)CC4C23)C1
InChIInChI=1S/C19H31N/c1-3-18(20)9-16-13-5-12-6-14(7-13)19(10-18)8-11(2)4-15(12)17(16)19/h11-17H,3-10,20H2,1-2H3
InChIKeyLFWUFSUCGDHADX-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-methylpentacyclo[7.5.1.110,14.05,12.05,15]hexadecan-3-amine?
The IUPAC name of 3-ethyl-7-methylpentacyclo[7.5.1.110,14.05,12.05,15]hexadecan-3-amine (CID 135208316) is 3-ethyl-7-methylpentacyclo[7.5.1.110,14.05,12.05,15]hexadecan-3-amine.
What is the SMILES notation for 3-ethyl-7-methylpentacyclo[7.5.1.110,14.05,12.05,15]hexadecan-3-amine?
The canonical SMILES for 3-ethyl-7-methylpentacyclo[7.5.1.110,14.05,12.05,15]hexadecan-3-amine is CCC1(N)CC2C3CC4CC(C3)C3(CC(C)CC4C23)C1.
What is the InChIKey of 3-ethyl-7-methylpentacyclo[7.5.1.110,14.05,12.05,15]hexadecan-3-amine?
The InChIKey is LFWUFSUCGDHADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-3-18(20)9-16-13-5-12-6-14(7-13)19(10-18)8-11(2)4-15(12)17(16)19/h11-17H,3-10,20H2,1-2H3.
What are the key properties of 3-ethyl-7-methylpentacyclo[7.5.1.110,14.05,12.05,15]hexadecan-3-amine?
3-ethyl-7-methylpentacyclo[7.5.1.110,14.05,12.05,15]hexadecan-3-amine has a molecular weight of 273.46 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-methylpentacyclo[7.5.1.110,14.05,12.05,15]hexadecan-3-amine is sourced from PubChem (CID 135208316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).