4-cyclopentyl-5,6,7,8-tetrahydrochrysen-1-amine

C23H25N — CID 174584094

IUPAC4-cyclopentyl-5,6,7,8-tetrahydrochrysen-1-amine
SMILESNc1ccc(C2CCCC2)c2c3c(ccc12)C1=C(CCC=C1)CC3
InChIInChI=1S/C23H25N/c24-22-14-13-18(15-5-1-2-6-15)23-20-10-9-16-7-3-4-8-17(16)19(20)11-12-21(22)23/h4,8,11-15H,1-3,5-7,9-10,24H2
InChIKeyWIOQHQFSODDENG-UHFFFAOYSA-N
MW315.46 g/mol
LogP6.13
Rot. Bonds1

About 4-cyclopentyl-5,6,7,8-tetrahydrochrysen-1-amine

4-cyclopentyl-5,6,7,8-tetrahydrochrysen-1-amine (PubChem CID 174584094) has the molecular formula C23H25N and a molecular weight of 315.46 g/mol. Its IUPAC name is 4-cyclopentyl-5,6,7,8-tetrahydrochrysen-1-amine.

Molecular Properties

Compound Name4-cyclopentyl-5,6,7,8-tetrahydrochrysen-1-amine
PubChem CID174584094
Molecular FormulaC23H25N
Molecular Weight315.46 g/mol
Exact Mass315.20
IUPAC Name4-cyclopentyl-5,6,7,8-tetrahydrochrysen-1-amine
SMILESNc1ccc(C2CCCC2)c2c3c(ccc12)C1=C(CCC=C1)CC3
InChIInChI=1S/C23H25N/c24-22-14-13-18(15-5-1-2-6-15)23-20-10-9-16-7-3-4-8-17(16)19(20)11-12-21(22)23/h4,8,11-15H,1-3,5-7,9-10,24H2
InChIKeyWIOQHQFSODDENG-UHFFFAOYSA-N
XLogP6.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.46
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-ethyl-1,2,11,12-tetrahydrochrysene
CID 174435742
1-(5,6,7,8-tetrahydrochrysen-1-yl)pyrrole
CID 174854598
8-methylsulfanyl-1,2,11,12-tetrahydrochrysene
CID 174806842
N-methyl-N-[[3-(5,6,7,8-tetrahydrochrysen-4-ylmethyl)phenyl]methyl]cyclohexanamine
CID 174587972
2-(5,6,7,8-tetrahydrochrysen-1-yl)naphthalen-1-ol
CID 175438347
1-amino-2-cyclopentyl-7,7-dimethyl-6,8-dihydrochrysen-5-one
CID 174523936
10-fluoro-9-methyl-8-naphthalen-1-yl-1,2,11,12-tetrahydrochrysene
CID 174797668
[(2S)-2-methylpyrrolidin-1-yl]-(5,6,7,8-tetrahydrochrysen-3-yl)methanone
CID 174828470
7,8-dimethyl-1,2,11,12-tetrahydrochrysene;quinazoline-2,4-diamine
CID 174573297
1-(4,5-dihydro-1,2-oxazol-3-yl)-5,6,7,8-tetrahydrochrysen-3-ol
CID 174302570
2-ethyl-1-[[3-(5,6,7,8-tetrahydrochrysen-4-ylmethyl)phenyl]methyl]pyrrolidine;2H-phthalazin-1-one
CID 175282451
benzo[e]benzimidazol-2-one;1,2,11,12-tetrahydrochrysene
CID 174378285

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-5,6,7,8-tetrahydrochrysen-1-amine?
The IUPAC name of 4-cyclopentyl-5,6,7,8-tetrahydrochrysen-1-amine (CID 174584094) is 4-cyclopentyl-5,6,7,8-tetrahydrochrysen-1-amine.
What is the SMILES notation for 4-cyclopentyl-5,6,7,8-tetrahydrochrysen-1-amine?
The canonical SMILES for 4-cyclopentyl-5,6,7,8-tetrahydrochrysen-1-amine is Nc1ccc(C2CCCC2)c2c3c(ccc12)C1=C(CCC=C1)CC3.
What is the InChIKey of 4-cyclopentyl-5,6,7,8-tetrahydrochrysen-1-amine?
The InChIKey is WIOQHQFSODDENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N/c24-22-14-13-18(15-5-1-2-6-15)23-20-10-9-16-7-3-4-8-17(16)19(20)11-12-21(22)23/h4,8,11-15H,1-3,5-7,9-10,24H2.
What are the key properties of 4-cyclopentyl-5,6,7,8-tetrahydrochrysen-1-amine?
4-cyclopentyl-5,6,7,8-tetrahydrochrysen-1-amine has a molecular weight of 315.46 g/mol, XLogP of 6.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-5,6,7,8-tetrahydrochrysen-1-amine is sourced from PubChem (CID 174584094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).