N-methyl-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-3,5,10,12-tetraenyl)propan-1-amine

C20H27N — CID 59769468

IUPACN-methyl-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-3,5,10,12-tetraenyl)propan-1-amine
SMILESCNCCCC12CCC(C3C=CC=CC31)C1C=CC=CC12
InChIInChI=1S/C20H27N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15-19,21H,6,11-14H2,1H3
InChIKeyHEPQOEXZZOLIJZ-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.11
Rot. Bonds4

About N-methyl-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-3,5,10,12-tetraenyl)propan-1-amine

N-methyl-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-3,5,10,12-tetraenyl)propan-1-amine (PubChem CID 59769468) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-methyl-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-3,5,10,12-tetraenyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-3,5,10,12-tetraenyl)propan-1-amine
PubChem CID59769468
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-methyl-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-3,5,10,12-tetraenyl)propan-1-amine
SMILESCNCCCC12CCC(C3C=CC=CC31)C1C=CC=CC12
InChIInChI=1S/C20H27N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15-19,21H,6,11-14H2,1H3
InChIKeyHEPQOEXZZOLIJZ-UHFFFAOYSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-3,5,10,12-tetraenyl)propan-1-amine?
The IUPAC name of N-methyl-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-3,5,10,12-tetraenyl)propan-1-amine (CID 59769468) is N-methyl-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-3,5,10,12-tetraenyl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-3,5,10,12-tetraenyl)propan-1-amine?
The canonical SMILES for N-methyl-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-3,5,10,12-tetraenyl)propan-1-amine is CNCCCC12CCC(C3C=CC=CC31)C1C=CC=CC12.
What is the InChIKey of N-methyl-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-3,5,10,12-tetraenyl)propan-1-amine?
The InChIKey is HEPQOEXZZOLIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15-19,21H,6,11-14H2,1H3.
What are the key properties of N-methyl-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-3,5,10,12-tetraenyl)propan-1-amine?
N-methyl-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-3,5,10,12-tetraenyl)propan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-3,5,10,12-tetraenyl)propan-1-amine is sourced from PubChem (CID 59769468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).