N,N-dimethyl-2-(11-pentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),4,6,8,10,13,15,17,19-nonaenyl)ethanamine

C24H23N — CID 129012328

IUPACN,N-dimethyl-2-(11-pentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),4,6,8,10,13,15,17,19-nonaenyl)ethanamine
SMILESCN(C)CCC1=C2c3ccccc3CC2c2c1ccc1ccccc21
InChIInChI=1S/C24H23N/c1-25(2)14-13-21-20-12-11-16-7-3-5-9-18(16)23(20)22-15-17-8-4-6-10-19(17)24(21)22/h3-12,22H,13-15H2,1-2H3
InChIKeyVFWXCVXGQQBINB-UHFFFAOYSA-N
MW325.46 g/mol
LogP5.36
Rot. Bonds3

About N,N-dimethyl-2-(11-pentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),4,6,8,10,13,15,17,19-nonaenyl)ethanamine

N,N-dimethyl-2-(11-pentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),4,6,8,10,13,15,17,19-nonaenyl)ethanamine (PubChem CID 129012328) has the molecular formula C24H23N and a molecular weight of 325.46 g/mol. Its IUPAC name is N,N-dimethyl-2-(11-pentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),4,6,8,10,13,15,17,19-nonaenyl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(11-pentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),4,6,8,10,13,15,17,19-nonaenyl)ethanamine
PubChem CID129012328
Molecular FormulaC24H23N
Molecular Weight325.46 g/mol
Exact Mass325.18
IUPAC NameN,N-dimethyl-2-(11-pentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),4,6,8,10,13,15,17,19-nonaenyl)ethanamine
SMILESCN(C)CCC1=C2c3ccccc3CC2c2c1ccc1ccccc21
InChIInChI=1S/C24H23N/c1-25(2)14-13-21-20-12-11-16-7-3-5-9-18(16)23(20)22-15-17-8-4-6-10-19(17)24(21)22/h3-12,22H,13-15H2,1-2H3
InChIKeyVFWXCVXGQQBINB-UHFFFAOYSA-N
XLogP5.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.46
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-2-(11-pentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),4,6,8,10,13,15,17,19-nonaenyl)ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(11-pentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),4,6,8,10,13,15,17,19-nonaenyl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(11-pentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),4,6,8,10,13,15,17,19-nonaenyl)ethanamine (CID 129012328) is N,N-dimethyl-2-(11-pentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),4,6,8,10,13,15,17,19-nonaenyl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(11-pentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),4,6,8,10,13,15,17,19-nonaenyl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(11-pentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),4,6,8,10,13,15,17,19-nonaenyl)ethanamine is CN(C)CCC1=C2c3ccccc3CC2c2c1ccc1ccccc21.
What is the InChIKey of N,N-dimethyl-2-(11-pentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),4,6,8,10,13,15,17,19-nonaenyl)ethanamine?
The InChIKey is VFWXCVXGQQBINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N/c1-25(2)14-13-21-20-12-11-16-7-3-5-9-18(16)23(20)22-15-17-8-4-6-10-19(17)24(21)22/h3-12,22H,13-15H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(11-pentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),4,6,8,10,13,15,17,19-nonaenyl)ethanamine?
N,N-dimethyl-2-(11-pentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),4,6,8,10,13,15,17,19-nonaenyl)ethanamine has a molecular weight of 325.46 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(11-pentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),4,6,8,10,13,15,17,19-nonaenyl)ethanamine is sourced from PubChem (CID 129012328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).