(1S)-4,5,5,8,8-pentamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine

C19H29N — CID 104889638

IUPAC(1S)-4,5,5,8,8-pentamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine
SMILESCC1CC[C@H](N)c2cc3c(cc21)C(C)(C)CCC3(C)C
InChIInChI=1S/C19H29N/c1-12-6-7-17(20)14-11-16-15(10-13(12)14)18(2,3)8-9-19(16,4)5/h10-12,17H,6-9,20H2,1-5H3/t12?,17-/m0/s1
InChIKeyFPKPYXNUZBLOQW-TYJDENFWSA-N
MW271.45 g/mol
LogP4.93
Rot. Bonds

About (1S)-4,5,5,8,8-pentamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine

(1S)-4,5,5,8,8-pentamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine (PubChem CID 104889638) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is (1S)-4,5,5,8,8-pentamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine.

Molecular Properties

Compound Name(1S)-4,5,5,8,8-pentamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine
PubChem CID104889638
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name(1S)-4,5,5,8,8-pentamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine
SMILESCC1CC[C@H](N)c2cc3c(cc21)C(C)(C)CCC3(C)C
InChIInChI=1S/C19H29N/c1-12-6-7-17(20)14-11-16-15(10-13(12)14)18(2,3)8-9-19(16,4)5/h10-12,17H,6-9,20H2,1-5H3/t12?,17-/m0/s1
InChIKeyFPKPYXNUZBLOQW-TYJDENFWSA-N
XLogP4.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-4,5,5,8,8-pentamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-4,5,5,8,8-pentamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine?
The IUPAC name of (1S)-4,5,5,8,8-pentamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine (CID 104889638) is (1S)-4,5,5,8,8-pentamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine.
What is the SMILES notation for (1S)-4,5,5,8,8-pentamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine?
The canonical SMILES for (1S)-4,5,5,8,8-pentamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine is CC1CC[C@H](N)c2cc3c(cc21)C(C)(C)CCC3(C)C.
What is the InChIKey of (1S)-4,5,5,8,8-pentamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine?
The InChIKey is FPKPYXNUZBLOQW-TYJDENFWSA-N. The full InChI is InChI=1S/C19H29N/c1-12-6-7-17(20)14-11-16-15(10-13(12)14)18(2,3)8-9-19(16,4)5/h10-12,17H,6-9,20H2,1-5H3/t12?,17-/m0/s1.
What are the key properties of (1S)-4,5,5,8,8-pentamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine?
(1S)-4,5,5,8,8-pentamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine has a molecular weight of 271.45 g/mol, XLogP of 4.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4,5,5,8,8-pentamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine is sourced from PubChem (CID 104889638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).