hexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecan-10-amine

C14H19N — CID 134863739

IUPAChexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecan-10-amine
SMILESNC1C2CC3C(C2)C2C4CC5C2C5C4C13
InChIInChI=1S/C14H19N/c15-14-4-1-5-6(2-4)13(14)12-7-3-8-10(9(5)7)11(8)12/h4-14H,1-3,15H2
InChIKeyIKVAXSJFHRJYNV-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.73
Rot. Bonds

About hexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecan-10-amine

hexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecan-10-amine (PubChem CID 134863739) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is hexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecan-10-amine.

Molecular Properties

Compound Namehexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecan-10-amine
PubChem CID134863739
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Namehexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecan-10-amine
SMILESNC1C2CC3C(C2)C2C4CC5C2C5C4C13
InChIInChI=1S/C14H19N/c15-14-4-1-5-6(2-4)13(14)12-7-3-8-10(9(5)7)11(8)12/h4-14H,1-3,15H2
InChIKeyIKVAXSJFHRJYNV-UHFFFAOYSA-N
XLogP1.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of hexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecan-10-amine?
The IUPAC name of hexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecan-10-amine (CID 134863739) is hexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecan-10-amine.
What is the SMILES notation for hexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecan-10-amine?
The canonical SMILES for hexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecan-10-amine is NC1C2CC3C(C2)C2C4CC5C2C5C4C13.
What is the InChIKey of hexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecan-10-amine?
The InChIKey is IKVAXSJFHRJYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c15-14-4-1-5-6(2-4)13(14)12-7-3-8-10(9(5)7)11(8)12/h4-14H,1-3,15H2.
What are the key properties of hexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecan-10-amine?
hexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecan-10-amine has a molecular weight of 201.31 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecan-10-amine is sourced from PubChem (CID 134863739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).