2,2-dimethyl-N-propyl-4,6,7,8-tetrahydro-3H-cyclopenta[g]chromen-4-amine

C17H25NO — CID 64697481

IUPAC2,2-dimethyl-N-propyl-4,6,7,8-tetrahydro-3H-cyclopenta[g]chromen-4-amine
SMILESCCCNC1CC(C)(C)Oc2cc3c(cc21)CCC3
InChIInChI=1S/C17H25NO/c1-4-8-18-15-11-17(2,3)19-16-10-13-7-5-6-12(13)9-14(15)16/h9-10,15,18H,4-8,11H2,1-3H3
InChIKeyUFNYSWMJYPDZMI-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.78
Rot. Bonds3

About 2,2-dimethyl-N-propyl-4,6,7,8-tetrahydro-3H-cyclopenta[g]chromen-4-amine

2,2-dimethyl-N-propyl-4,6,7,8-tetrahydro-3H-cyclopenta[g]chromen-4-amine (PubChem CID 64697481) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-propyl-4,6,7,8-tetrahydro-3H-cyclopenta[g]chromen-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-propyl-4,6,7,8-tetrahydro-3H-cyclopenta[g]chromen-4-amine
PubChem CID64697481
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2,2-dimethyl-N-propyl-4,6,7,8-tetrahydro-3H-cyclopenta[g]chromen-4-amine
SMILESCCCNC1CC(C)(C)Oc2cc3c(cc21)CCC3
InChIInChI=1S/C17H25NO/c1-4-8-18-15-11-17(2,3)19-16-10-13-7-5-6-12(13)9-14(15)16/h9-10,15,18H,4-8,11H2,1-3H3
InChIKeyUFNYSWMJYPDZMI-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2,2-trimethyl-3,4,6,7,8,9-hexahydrobenzo[g]chromen-4-amine
CID 64696866
3,3-dimethyl-N-propyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine
CID 115483148
6-methoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64698499
N-butyl-6,6-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-amine
CID 82462091
7-(methoxymethoxy)-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 65365816
7-but-2-ynoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 62311714
N-hexyl-2,2,7-trimethyl-3,4-dihydrochromen-4-amine
CID 82461769
2-methyl-N-propyl-2,3,4,6,7,8-hexahydrocyclopenta[g]thiochromen-4-amine
CID 43538985
8-chloro-6-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64699313
N-butyl-2,2-dimethyl-6-propoxy-3,4-dihydrochromen-4-amine
CID 82461986
8-methoxy-2,2,6-trimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64696641
7-bromo-2-(ethoxymethyl)-2-methyl-N-propyl-3,4-dihydrochromen-4-amine
CID 114711924

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propyl-4,6,7,8-tetrahydro-3H-cyclopenta[g]chromen-4-amine?
The IUPAC name of 2,2-dimethyl-N-propyl-4,6,7,8-tetrahydro-3H-cyclopenta[g]chromen-4-amine (CID 64697481) is 2,2-dimethyl-N-propyl-4,6,7,8-tetrahydro-3H-cyclopenta[g]chromen-4-amine.
What is the SMILES notation for 2,2-dimethyl-N-propyl-4,6,7,8-tetrahydro-3H-cyclopenta[g]chromen-4-amine?
The canonical SMILES for 2,2-dimethyl-N-propyl-4,6,7,8-tetrahydro-3H-cyclopenta[g]chromen-4-amine is CCCNC1CC(C)(C)Oc2cc3c(cc21)CCC3.
What is the InChIKey of 2,2-dimethyl-N-propyl-4,6,7,8-tetrahydro-3H-cyclopenta[g]chromen-4-amine?
The InChIKey is UFNYSWMJYPDZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-4-8-18-15-11-17(2,3)19-16-10-13-7-5-6-12(13)9-14(15)16/h9-10,15,18H,4-8,11H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-propyl-4,6,7,8-tetrahydro-3H-cyclopenta[g]chromen-4-amine?
2,2-dimethyl-N-propyl-4,6,7,8-tetrahydro-3H-cyclopenta[g]chromen-4-amine has a molecular weight of 259.39 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propyl-4,6,7,8-tetrahydro-3H-cyclopenta[g]chromen-4-amine is sourced from PubChem (CID 64697481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).