(9R,13S)-N,N,6,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine

C24H40N2 — CID 16758122

IUPAC(9R,13S)-N,N,6,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine
SMILESCC1C2CCC3C4CC=C5CC(N(C)C)CC[C@@]5(C)C4CC[C@@]32CN1C
InChIInChI=1S/C24H40N2/c1-16-20-8-9-22-19-7-6-17-14-18(25(3)4)10-12-23(17,2)21(19)11-13-24(20,22)15-26(16)5/h6,16,18-22H,7-15H2,1-5H3/t16?,18?,19?,20?,21?,22?,23-,24+/m1/s1
InChIKeyGPLGAQQQNWMVMM-CQVIQMQASA-N
MW356.60 g/mol
LogP4.81
Rot. Bonds1

About (9R,13S)-N,N,6,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine

(9R,13S)-N,N,6,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine (PubChem CID 16758122) has the molecular formula C24H40N2 and a molecular weight of 356.60 g/mol. Its IUPAC name is (9R,13S)-N,N,6,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine.

Molecular Properties

Compound Name(9R,13S)-N,N,6,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine
PubChem CID16758122
Molecular FormulaC24H40N2
Molecular Weight356.60 g/mol
Exact Mass356.32
IUPAC Name(9R,13S)-N,N,6,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine
SMILESCC1C2CCC3C4CC=C5CC(N(C)C)CC[C@@]5(C)C4CC[C@@]32CN1C
InChIInChI=1S/C24H40N2/c1-16-20-8-9-22-19-7-6-17-14-18(25(3)4)10-12-23(17,2)21(19)11-13-24(20,22)15-26(16)5/h6,16,18-22H,7-15H2,1-5H3/t16?,18?,19?,20?,21?,22?,23-,24+/m1/s1
InChIKeyGPLGAQQQNWMVMM-CQVIQMQASA-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 (9R,13S)-N,N,6,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine?
The IUPAC name of (9R,13S)-N,N,6,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine (CID 16758122) is (9R,13S)-N,N,6,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine.
What is the SMILES notation for (9R,13S)-N,N,6,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine?
The canonical SMILES for (9R,13S)-N,N,6,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine is CC1C2CCC3C4CC=C5CC(N(C)C)CC[C@@]5(C)C4CC[C@@]32CN1C.
What is the InChIKey of (9R,13S)-N,N,6,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine?
The InChIKey is GPLGAQQQNWMVMM-CQVIQMQASA-N. The full InChI is InChI=1S/C24H40N2/c1-16-20-8-9-22-19-7-6-17-14-18(25(3)4)10-12-23(17,2)21(19)11-13-24(20,22)15-26(16)5/h6,16,18-22H,7-15H2,1-5H3/t16?,18?,19?,20?,21?,22?,23-,24+/m1/s1.
What are the key properties of (9R,13S)-N,N,6,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine?
(9R,13S)-N,N,6,7,13-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 (9R,13S)-N,N,6,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine is sourced from PubChem (CID 16758122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).