(8S)-N-(cuban-1-ylmethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine

C20H23N — CID 73355415

IUPAC(8S)-N-(cuban-1-ylmethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine
SMILESC1C2C3CC4C2C(NCC25C6C7C8C6C2C8C75)C2C1C3C42
InChIInChI=1S/C20H23N/c1-4-5-2-6-8(4)10-7(1)9(5)19(11(6)10)21-3-20-16-13-12-14(16)18(20)15(12)17(13)20/h4-19,21H,1-3H2
InChIKeyCHZUEGVOEFMIJH-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.09
Rot. Bonds3

About (8S)-N-(cuban-1-ylmethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine

(8S)-N-(cuban-1-ylmethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine (PubChem CID 73355415) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is (8S)-N-(cuban-1-ylmethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine.

Molecular Properties

Compound Name(8S)-N-(cuban-1-ylmethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine
PubChem CID73355415
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name(8S)-N-(cuban-1-ylmethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine
SMILESC1C2C3CC4C2C(NCC25C6C7C8C6C2C8C75)C2C1C3C42
InChIInChI=1S/C20H23N/c1-4-5-2-6-8(4)10-7(1)9(5)19(11(6)10)21-3-20-16-13-12-14(16)18(20)15(12)17(13)20/h4-19,21H,1-3H2
InChIKeyCHZUEGVOEFMIJH-UHFFFAOYSA-N
XLogP2.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (8S)-N-(cuban-1-ylmethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine?
The IUPAC name of (8S)-N-(cuban-1-ylmethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine (CID 73355415) is (8S)-N-(cuban-1-ylmethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine.
What is the SMILES notation for (8S)-N-(cuban-1-ylmethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine?
The canonical SMILES for (8S)-N-(cuban-1-ylmethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine is C1C2C3CC4C2C(NCC25C6C7C8C6C2C8C75)C2C1C3C42.
What is the InChIKey of (8S)-N-(cuban-1-ylmethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine?
The InChIKey is CHZUEGVOEFMIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-4-5-2-6-8(4)10-7(1)9(5)19(11(6)10)21-3-20-16-13-12-14(16)18(20)15(12)17(13)20/h4-19,21H,1-3H2.
What are the key properties of (8S)-N-(cuban-1-ylmethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine?
(8S)-N-(cuban-1-ylmethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine has a molecular weight of 277.41 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-(cuban-1-ylmethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine is sourced from PubChem (CID 73355415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).