N,4,5,5,8,8-hexamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine

C20H31N — CID 116525983

IUPACN,4,5,5,8,8-hexamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine
SMILESCNC1CCC(C)c2cc3c(cc21)C(C)(C)CCC3(C)C
InChIInChI=1S/C20H31N/c1-13-7-8-18(21-6)15-12-17-16(11-14(13)15)19(2,3)9-10-20(17,4)5/h11-13,18,21H,7-10H2,1-6H3
InChIKeyQGKLTGDVTBAHOQ-UHFFFAOYSA-N
MW285.48 g/mol
LogP5.19
Rot. Bonds1

About N,4,5,5,8,8-hexamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine

N,4,5,5,8,8-hexamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine (PubChem CID 116525983) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is N,4,5,5,8,8-hexamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine.

Molecular Properties

Compound NameN,4,5,5,8,8-hexamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine
PubChem CID116525983
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC NameN,4,5,5,8,8-hexamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine
SMILESCNC1CCC(C)c2cc3c(cc21)C(C)(C)CCC3(C)C
InChIInChI=1S/C20H31N/c1-13-7-8-18(21-6)15-12-17-16(11-14(13)15)19(2,3)9-10-20(17,4)5/h11-13,18,21H,7-10H2,1-6H3
InChIKeyQGKLTGDVTBAHOQ-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.48
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,4,5,5,8,8-hexamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine?
The IUPAC name of N,4,5,5,8,8-hexamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine (CID 116525983) is N,4,5,5,8,8-hexamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine.
What is the SMILES notation for N,4,5,5,8,8-hexamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine?
The canonical SMILES for N,4,5,5,8,8-hexamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine is CNC1CCC(C)c2cc3c(cc21)C(C)(C)CCC3(C)C.
What is the InChIKey of N,4,5,5,8,8-hexamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine?
The InChIKey is QGKLTGDVTBAHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-13-7-8-18(21-6)15-12-17-16(11-14(13)15)19(2,3)9-10-20(17,4)5/h11-13,18,21H,7-10H2,1-6H3.
What are the key properties of N,4,5,5,8,8-hexamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine?
N,4,5,5,8,8-hexamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine has a molecular weight of 285.48 g/mol, XLogP of 5.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,5,5,8,8-hexamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine is sourced from PubChem (CID 116525983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).