[(5R,13R)-10,13-diethyl-5,13-dimethyl-5-tricyclo[9.3.0.04,7]tetradecanyl]methanamine

C21H39N — CID 134459588

IUPAC[(5R,13R)-10,13-diethyl-5,13-dimethyl-5-tricyclo[9.3.0.04,7]tetradecanyl]methanamine
SMILESCCC1CCC2C[C@@](C)(CN)C2CCC2C[C@@](C)(CC)CC12
InChIInChI=1S/C21H39N/c1-5-15-7-8-17-12-21(4,14-22)19(17)10-9-16-11-20(3,6-2)13-18(15)16/h15-19H,5-14,22H2,1-4H3/t15?,16?,17?,18?,19?,20-,21+/m1/s1
InChIKeyCNDHQUDHWLOULY-VWNUNYOYSA-N
MW305.55 g/mol
LogP5.63
Rot. Bonds3

About [(5R,13R)-10,13-diethyl-5,13-dimethyl-5-tricyclo[9.3.0.04,7]tetradecanyl]methanamine

[(5R,13R)-10,13-diethyl-5,13-dimethyl-5-tricyclo[9.3.0.04,7]tetradecanyl]methanamine (PubChem CID 134459588) has the molecular formula C21H39N and a molecular weight of 305.55 g/mol. Its IUPAC name is [(5R,13R)-10,13-diethyl-5,13-dimethyl-5-tricyclo[9.3.0.04,7]tetradecanyl]methanamine.

Molecular Properties

Compound Name[(5R,13R)-10,13-diethyl-5,13-dimethyl-5-tricyclo[9.3.0.04,7]tetradecanyl]methanamine
PubChem CID134459588
Molecular FormulaC21H39N
Molecular Weight305.55 g/mol
Exact Mass305.31
IUPAC Name[(5R,13R)-10,13-diethyl-5,13-dimethyl-5-tricyclo[9.3.0.04,7]tetradecanyl]methanamine
SMILESCCC1CCC2C[C@@](C)(CN)C2CCC2C[C@@](C)(CC)CC12
InChIInChI=1S/C21H39N/c1-5-15-7-8-17-12-21(4,14-22)19(17)10-9-16-11-20(3,6-2)13-18(15)16/h15-19H,5-14,22H2,1-4H3/t15?,16?,17?,18?,19?,20-,21+/m1/s1
InChIKeyCNDHQUDHWLOULY-VWNUNYOYSA-N
XLogP5.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.55
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(5R,13R)-10,13-diethyl-5,13-dimethyl-5-tricyclo[9.3.0.04,7]tetradecanyl]methanamine?
The IUPAC name of [(5R,13R)-10,13-diethyl-5,13-dimethyl-5-tricyclo[9.3.0.04,7]tetradecanyl]methanamine (CID 134459588) is [(5R,13R)-10,13-diethyl-5,13-dimethyl-5-tricyclo[9.3.0.04,7]tetradecanyl]methanamine.
What is the SMILES notation for [(5R,13R)-10,13-diethyl-5,13-dimethyl-5-tricyclo[9.3.0.04,7]tetradecanyl]methanamine?
The canonical SMILES for [(5R,13R)-10,13-diethyl-5,13-dimethyl-5-tricyclo[9.3.0.04,7]tetradecanyl]methanamine is CCC1CCC2C[C@@](C)(CN)C2CCC2C[C@@](C)(CC)CC12.
What is the InChIKey of [(5R,13R)-10,13-diethyl-5,13-dimethyl-5-tricyclo[9.3.0.04,7]tetradecanyl]methanamine?
The InChIKey is CNDHQUDHWLOULY-VWNUNYOYSA-N. The full InChI is InChI=1S/C21H39N/c1-5-15-7-8-17-12-21(4,14-22)19(17)10-9-16-11-20(3,6-2)13-18(15)16/h15-19H,5-14,22H2,1-4H3/t15?,16?,17?,18?,19?,20-,21+/m1/s1.
What are the key properties of [(5R,13R)-10,13-diethyl-5,13-dimethyl-5-tricyclo[9.3.0.04,7]tetradecanyl]methanamine?
[(5R,13R)-10,13-diethyl-5,13-dimethyl-5-tricyclo[9.3.0.04,7]tetradecanyl]methanamine has a molecular weight of 305.55 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,13R)-10,13-diethyl-5,13-dimethyl-5-tricyclo[9.3.0.04,7]tetradecanyl]methanamine is sourced from PubChem (CID 134459588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).