N-(1-ethynylcyclohexyl)acridin-9-amine

C21H20N2 — CID 10017698

IUPACN-(1-ethynylcyclohexyl)acridin-9-amine
SMILESC#CC1(Nc2c3ccccc3nc3ccccc23)CCCCC1
InChIInChI=1S/C21H20N2/c1-2-21(14-8-3-9-15-21)23-20-16-10-4-6-12-18(16)22-19-13-7-5-11-17(19)20/h1,4-7,10-13H,3,8-9,14-15H2,(H,22,23)
InChIKeyNSKSWBNHOOCINS-UHFFFAOYSA-N
MW300.41 g/mol
LogP5.14
Rot. Bonds2

About N-(1-ethynylcyclohexyl)acridin-9-amine

N-(1-ethynylcyclohexyl)acridin-9-amine (PubChem CID 10017698) has the molecular formula C21H20N2 and a molecular weight of 300.41 g/mol. Its IUPAC name is N-(1-ethynylcyclohexyl)acridin-9-amine.

Molecular Properties

Compound NameN-(1-ethynylcyclohexyl)acridin-9-amine
PubChem CID10017698
Molecular FormulaC21H20N2
Molecular Weight300.41 g/mol
Exact Mass300.16
IUPAC NameN-(1-ethynylcyclohexyl)acridin-9-amine
SMILESC#CC1(Nc2c3ccccc3nc3ccccc23)CCCCC1
InChIInChI=1S/C21H20N2/c1-2-21(14-8-3-9-15-21)23-20-16-10-4-6-12-18(16)22-19-13-7-5-11-17(19)20/h1,4-7,10-13H,3,8-9,14-15H2,(H,22,23)
InChIKeyNSKSWBNHOOCINS-UHFFFAOYSA-N
XLogP5.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.41
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethynylcyclohexyl)acridin-9-amine?
The IUPAC name of N-(1-ethynylcyclohexyl)acridin-9-amine (CID 10017698) is N-(1-ethynylcyclohexyl)acridin-9-amine.
What is the SMILES notation for N-(1-ethynylcyclohexyl)acridin-9-amine?
The canonical SMILES for N-(1-ethynylcyclohexyl)acridin-9-amine is C#CC1(Nc2c3ccccc3nc3ccccc23)CCCCC1.
What is the InChIKey of N-(1-ethynylcyclohexyl)acridin-9-amine?
The InChIKey is NSKSWBNHOOCINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2/c1-2-21(14-8-3-9-15-21)23-20-16-10-4-6-12-18(16)22-19-13-7-5-11-17(19)20/h1,4-7,10-13H,3,8-9,14-15H2,(H,22,23).
What are the key properties of N-(1-ethynylcyclohexyl)acridin-9-amine?
N-(1-ethynylcyclohexyl)acridin-9-amine has a molecular weight of 300.41 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethynylcyclohexyl)acridin-9-amine is sourced from PubChem (CID 10017698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).