N,2,2-trimethyl-3,4,6,7,8,9-hexahydrobenzo[g]chromen-4-amine

C16H23NO — CID 64696866

IUPACN,2,2-trimethyl-3,4,6,7,8,9-hexahydrobenzo[g]chromen-4-amine
SMILESCNC1CC(C)(C)Oc2cc3c(cc21)CCCC3
InChIInChI=1S/C16H23NO/c1-16(2)10-14(17-3)13-8-11-6-4-5-7-12(11)9-15(13)18-16/h8-9,14,17H,4-7,10H2,1-3H3
InChIKeyHQAGFVQYYDKWPU-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.39
Rot. Bonds1

About N,2,2-trimethyl-3,4,6,7,8,9-hexahydrobenzo[g]chromen-4-amine

N,2,2-trimethyl-3,4,6,7,8,9-hexahydrobenzo[g]chromen-4-amine (PubChem CID 64696866) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N,2,2-trimethyl-3,4,6,7,8,9-hexahydrobenzo[g]chromen-4-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-3,4,6,7,8,9-hexahydrobenzo[g]chromen-4-amine
PubChem CID64696866
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN,2,2-trimethyl-3,4,6,7,8,9-hexahydrobenzo[g]chromen-4-amine
SMILESCNC1CC(C)(C)Oc2cc3c(cc21)CCCC3
InChIInChI=1S/C16H23NO/c1-16(2)10-14(17-3)13-8-11-6-4-5-7-12(11)9-15(13)18-16/h8-9,14,17H,4-7,10H2,1-3H3
InChIKeyHQAGFVQYYDKWPU-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-propyl-4,6,7,8-tetrahydro-3H-cyclopenta[g]chromen-4-amine
CID 64697481
7-bromo-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
CID 79982958
N,3,3-trimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine
CID 115483154
6-butyl-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
CID 115492942
7-but-3-en-2-yloxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
CID 62390031
N,6,7-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462713
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 100610173
(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100761977
N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine
CID 3058652
2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)butanamide
CID 133184646
N-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-amine
CID 62735808
6-bromo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81480897

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3,4,6,7,8,9-hexahydrobenzo[g]chromen-4-amine?
The IUPAC name of N,2,2-trimethyl-3,4,6,7,8,9-hexahydrobenzo[g]chromen-4-amine (CID 64696866) is N,2,2-trimethyl-3,4,6,7,8,9-hexahydrobenzo[g]chromen-4-amine.
What is the SMILES notation for N,2,2-trimethyl-3,4,6,7,8,9-hexahydrobenzo[g]chromen-4-amine?
The canonical SMILES for N,2,2-trimethyl-3,4,6,7,8,9-hexahydrobenzo[g]chromen-4-amine is CNC1CC(C)(C)Oc2cc3c(cc21)CCCC3.
What is the InChIKey of N,2,2-trimethyl-3,4,6,7,8,9-hexahydrobenzo[g]chromen-4-amine?
The InChIKey is HQAGFVQYYDKWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-16(2)10-14(17-3)13-8-11-6-4-5-7-12(11)9-15(13)18-16/h8-9,14,17H,4-7,10H2,1-3H3.
What are the key properties of N,2,2-trimethyl-3,4,6,7,8,9-hexahydrobenzo[g]chromen-4-amine?
N,2,2-trimethyl-3,4,6,7,8,9-hexahydrobenzo[g]chromen-4-amine has a molecular weight of 245.37 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3,4,6,7,8,9-hexahydrobenzo[g]chromen-4-amine is sourced from PubChem (CID 64696866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).