N,N,1,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine

C24H40N2 — CID 162844058

IUPACN,N,1,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine
SMILESCN1CC2CCC3C4(C)CC=C5CC(N(C)C)CCC5(C)C4CCC23C1
InChIInChI=1S/C24H40N2/c1-22-12-9-19(25(3)4)14-17(22)8-11-23(2)20(22)10-13-24-16-26(5)15-18(24)6-7-21(23)24/h8,18-21H,6-7,9-16H2,1-5H3
InChIKeyJTQMMTMDFJMALN-UHFFFAOYSA-N
MW356.60 g/mol
LogP4.81
Rot. Bonds1

About N,N,1,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine

N,N,1,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine (PubChem CID 162844058) has the molecular formula C24H40N2 and a molecular weight of 356.60 g/mol. Its IUPAC name is N,N,1,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine.

Molecular Properties

Compound NameN,N,1,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine
PubChem CID162844058
Molecular FormulaC24H40N2
Molecular Weight356.60 g/mol
Exact Mass356.32
IUPAC NameN,N,1,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine
SMILESCN1CC2CCC3C4(C)CC=C5CC(N(C)C)CCC5(C)C4CCC23C1
InChIInChI=1S/C24H40N2/c1-22-12-9-19(25(3)4)14-17(22)8-11-23(2)20(22)10-13-24-16-26(5)15-18(24)6-7-21(23)24/h8,18-21H,6-7,9-16H2,1-5H3
InChIKeyJTQMMTMDFJMALN-UHFFFAOYSA-N
XLogP4.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.60
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N,1,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine?
The IUPAC name of N,N,1,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine (CID 162844058) is N,N,1,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine.
What is the SMILES notation for N,N,1,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine?
The canonical SMILES for N,N,1,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine is CN1CC2CCC3C4(C)CC=C5CC(N(C)C)CCC5(C)C4CCC23C1.
What is the InChIKey of N,N,1,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine?
The InChIKey is JTQMMTMDFJMALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2/c1-22-12-9-19(25(3)4)14-17(22)8-11-23(2)20(22)10-13-24-16-26(5)15-18(24)6-7-21(23)24/h8,18-21H,6-7,9-16H2,1-5H3.
What are the key properties of N,N,1,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine?
N,N,1,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine has a molecular weight of 356.60 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine is sourced from PubChem (CID 162844058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).